REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gif_1_B DATA FIRST_RESID 2 DATA SEQUENCE PNFFIDRPIF AWVIAIIIML AGGLAILKLP VAQYPTIAPP AVTISASYPG DATA SEQUENCE ADAKTVQDTV TQVIEQNMNG IDNLMYMSSN SDSTGTVQIT LTFESGTDAD DATA SEQUENCE IAQVQVQNKL QLAMPLLPQE VQQQGVSVEK SSSSFLMVVG VINTDGTMTQ DATA SEQUENCE EDISDYVAAN MKDAISRTSG VGDVQLFGSQ YAMRIWMNPN ELNKFQLTPV DATA SEQUENCE DVITAIKAQN AQVAAGQLGG TPPVKGQQLN ASIIAQTRLT STEEFGKILL DATA SEQUENCE KVNQDGSRVL LRDVAKIELG GENYDIIAEF NGQPASGLGI KLATGANALD DATA SEQUENCE TAAAIRAELA KMEPFFPSGL KIVYPYDTTP FVKISIHEVV KTLVEAIILV DATA SEQUENCE FLVMYLFLQN FRATLIPTIA VPVVLLGTFA VLAAFGFSIN TLTMFGMVLA DATA SEQUENCE IGLLVDDAIV VVENVERVMA EEGLPPKEAT RKSMGQIQGA LVGIAMVLSA DATA SEQUENCE VFVPMAFFGG STGAIYRQFS ITIVSAMALS VLVALILTPA LCATMLKPIA DATA SEQUENCE KGDHGEGKKG FFGWFNRMFE KSTHHYTDSV GGILRSTGRY LVLYLIIVVG DATA SEQUENCE MAYLFVRLPS SFLPDEDQGV FMTMVQLPAG ATQERTQKVL NEVTHYYLTK DATA SEQUENCE EKNNVESVFA VNGFGFAGRG QNTGIAFVSL KDWADRPGEE NKVEAITMRA DATA SEQUENCE TRAFSQIKDA MVFAFNLPAI VELGTATGFD FELIDQAGLG HEKLTQARNQ DATA SEQUENCE LLAEAAKHPD MLTSVRPNGL EDTPQFKIDI DQEKAQALGV SINDINTTLG DATA SEQUENCE AAWGGSYVND FIDRGRVKKV YVMSEAKYRM LPDDIGDWYV RAADGQMVPF DATA SEQUENCE SAFSSSRWEY GSPRLERYNG LPSMEILGQA APGKSTGEAM ELMEQLASKL DATA SEQUENCE PTGVGYDWTG MSYQERLSGN QAPSLYAISL IVVFLCLAAL YESWSIPFSV DATA SEQUENCE MLVVPLGVIG ALLAATFRGL TNDVYFQVGL LTTIGLSAKN AILIVEFAKD DATA SEQUENCE LMDKEGKGLI EATLDAVRMR LRPILMTSLA FILGVMPLVI STGAGSGAQN DATA SEQUENCE AVGTGVMGGM VTATVLAIFF VPVFFVVVRR RFSRKNEDIE HSHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.377 177.300 0.129 0.000 1.155 2 P CA 0.000 63.193 63.100 0.155 0.000 0.800 2 P CB 0.000 31.742 31.700 0.070 0.000 0.726 3 N N -0.757 117.998 118.700 0.092 0.000 2.396 3 N HA 0.064 4.803 4.740 -0.000 0.000 0.180 3 N C 1.383 176.923 175.510 0.050 0.000 1.028 3 N CA 0.695 53.779 53.050 0.057 0.000 0.893 3 N CB -0.303 38.205 38.487 0.035 0.000 0.967 3 N HN 0.168 nan 8.380 nan 0.000 0.440 4 F N 0.099 119.985 119.950 -0.107 0.000 2.051 4 F HA -0.099 4.428 4.527 -0.000 0.000 0.296 4 F C 1.439 177.040 175.800 -0.331 0.000 1.122 4 F CA 1.560 59.392 58.000 -0.281 0.000 1.201 4 F CB -0.429 38.290 39.000 -0.468 0.000 0.978 4 F HN -0.018 nan 8.300 nan 0.000 0.472 5 F N -0.477 119.492 119.950 0.032 0.000 2.661 5 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 5 F C 2.217 177.972 175.800 -0.075 0.000 1.137 5 F CA 0.430 58.391 58.000 -0.065 0.000 1.454 5 F CB -0.620 38.362 39.000 -0.030 0.000 1.103 5 F HN -0.027 nan 8.300 nan 0.000 0.577 6 I N -0.006 120.610 120.570 0.076 0.000 2.493 6 I HA -0.265 3.904 4.170 -0.000 0.000 0.254 6 I C 1.453 177.561 176.117 -0.015 0.000 1.160 6 I CA 1.473 62.789 61.300 0.026 0.000 1.445 6 I CB -0.088 37.922 38.000 0.017 0.000 1.086 6 I HN 0.071 nan 8.210 nan 0.000 0.433 7 D N 0.196 120.551 120.400 -0.076 0.000 2.360 7 D HA 0.093 4.733 4.640 -0.000 0.000 0.210 7 D C 0.344 176.578 176.300 -0.109 0.000 1.047 7 D CA 0.295 54.235 54.000 -0.099 0.000 0.854 7 D CB 0.345 41.060 40.800 -0.143 0.000 0.936 7 D HN 0.271 nan 8.370 nan 0.000 0.514 8 R N 1.373 121.806 120.500 -0.111 0.000 2.477 8 R HA 0.191 4.531 4.340 -0.000 0.000 0.285 8 R C -1.810 174.576 176.300 0.145 0.000 1.415 8 R CA -1.165 54.918 56.100 -0.028 0.000 1.446 8 R CB 1.718 31.915 30.300 -0.171 0.000 1.110 8 R HN -0.052 nan 8.270 nan 0.000 0.590 9 P HA -0.092 nan 4.420 nan 0.000 0.220 9 P C 0.920 178.413 177.300 0.321 0.000 1.152 9 P CA 0.910 64.119 63.100 0.181 0.000 0.812 9 P CB 0.403 32.215 31.700 0.186 0.000 0.792 10 I N -1.333 119.425 120.570 0.314 0.000 2.353 10 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 10 I C 2.554 178.890 176.117 0.366 0.000 1.119 10 I CA 1.068 62.569 61.300 0.335 0.000 1.417 10 I CB -0.920 37.186 38.000 0.178 0.000 1.078 10 I HN -0.198 nan 8.210 nan 0.000 0.421 11 F N 1.066 121.142 119.950 0.211 0.000 2.069 11 F HA -0.343 4.184 4.527 -0.000 0.000 0.298 11 F C 2.547 178.532 175.800 0.308 0.000 1.113 11 F CA 1.276 59.442 58.000 0.278 0.000 1.214 11 F CB -0.044 39.142 39.000 0.310 0.000 0.978 11 F HN 0.074 nan 8.300 nan 0.000 0.474 12 A N -0.598 122.550 122.820 0.546 0.000 1.940 12 A HA -0.272 4.047 4.320 -0.000 0.000 0.219 12 A C 1.918 179.524 177.584 0.037 0.000 1.176 12 A CA 1.621 53.729 52.037 0.119 0.000 0.631 12 A CB -1.582 17.400 19.000 -0.029 0.000 0.814 12 A HN 0.706 nan 8.150 nan 0.000 0.446 13 W N -0.580 120.800 121.300 0.134 0.000 2.402 13 W HA -0.091 4.569 4.660 -0.000 0.000 0.286 13 W C 2.236 178.803 176.519 0.079 0.000 1.221 13 W CA 1.002 58.395 57.345 0.079 0.000 1.257 13 W CB -0.104 29.394 29.460 0.063 0.000 1.120 13 W HN 0.140 nan 8.180 nan 0.000 0.551 14 V N 0.659 120.788 119.914 0.357 0.000 2.295 14 V HA -0.318 3.801 4.120 -0.000 0.000 0.246 14 V C 1.840 178.057 176.094 0.205 0.000 1.049 14 V CA 1.741 64.182 62.300 0.236 0.000 1.024 14 V CB -0.708 31.212 31.823 0.162 0.000 0.648 14 V HN 0.157 nan 8.190 nan 0.000 0.447 15 I N 0.375 121.077 120.570 0.219 0.000 2.252 15 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 15 I C 2.673 178.824 176.117 0.058 0.000 1.102 15 I CA 1.330 62.701 61.300 0.118 0.000 1.385 15 I CB -0.659 37.357 38.000 0.028 0.000 1.064 15 I HN 0.274 nan 8.210 nan 0.000 0.414 16 A N 1.279 124.132 122.820 0.055 0.000 1.908 16 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 16 A C 2.302 179.958 177.584 0.120 0.000 1.181 16 A CA 1.666 53.733 52.037 0.050 0.000 0.627 16 A CB -0.838 18.175 19.000 0.022 0.000 0.818 16 A HN 0.389 nan 8.150 nan 0.000 0.445 17 I N -0.563 120.113 120.570 0.177 0.000 2.252 17 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 17 I C 2.296 178.465 176.117 0.087 0.000 1.102 17 I CA 1.077 62.461 61.300 0.140 0.000 1.385 17 I CB -0.267 37.816 38.000 0.139 0.000 1.064 17 I HN 0.300 nan 8.210 nan 0.000 0.414 18 I N 0.681 121.300 120.570 0.081 0.000 2.163 18 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 18 I C 2.436 178.577 176.117 0.040 0.000 1.085 18 I CA 1.736 63.070 61.300 0.057 0.000 1.347 18 I CB -0.197 37.841 38.000 0.062 0.000 1.044 18 I HN 0.163 nan 8.210 nan 0.000 0.408 19 I N -0.181 120.410 120.570 0.035 0.000 2.315 19 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 19 I C 2.566 178.702 176.117 0.031 0.000 1.117 19 I CA 1.331 62.641 61.300 0.017 0.000 1.404 19 I CB -0.198 37.798 38.000 -0.006 0.000 1.071 19 I HN 0.236 nan 8.210 nan 0.000 0.419 20 M N -0.138 119.490 119.600 0.048 0.000 2.132 20 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 20 M C 2.282 178.612 176.300 0.049 0.000 1.065 20 M CA 1.865 57.200 55.300 0.057 0.000 1.122 20 M CB -0.169 32.476 32.600 0.074 0.000 1.365 20 M HN 0.240 nan 8.290 nan 0.000 0.411 21 L N -0.826 120.422 121.223 0.042 0.000 2.209 21 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 21 L C 2.682 179.566 176.870 0.023 0.000 1.094 21 L CA 0.537 55.395 54.840 0.029 0.000 0.790 21 L CB -0.560 41.515 42.059 0.026 0.000 0.932 21 L HN 0.242 nan 8.230 nan 0.000 0.447 22 A N 0.170 123.004 122.820 0.024 0.000 1.873 22 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 22 A C 2.342 179.941 177.584 0.025 0.000 1.186 22 A CA 1.574 53.620 52.037 0.016 0.000 0.616 22 A CB -1.130 17.875 19.000 0.008 0.000 0.823 22 A HN 0.399 nan 8.150 nan 0.000 0.442 23 G N -0.825 108.003 108.800 0.045 0.000 2.443 23 G HA2 0.115 4.075 3.960 -0.000 0.000 0.219 23 G HA3 0.115 4.075 3.960 -0.000 0.000 0.219 23 G C 1.404 176.358 174.900 0.091 0.000 1.131 23 G CA 1.166 46.325 45.100 0.098 0.000 0.775 23 G HN 0.676 nan 8.290 nan 0.000 0.547 24 G N 0.487 109.316 108.800 0.048 0.000 2.403 24 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.216 24 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.216 24 G C 1.606 176.493 174.900 -0.021 0.000 1.154 24 G CA 0.402 45.508 45.100 0.010 0.000 0.784 24 G HN 0.288 nan 8.290 nan 0.000 0.538 25 L N 1.124 122.342 121.223 -0.008 0.000 2.056 25 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 25 L C 3.157 180.009 176.870 -0.029 0.000 1.078 25 L CA 1.980 56.810 54.840 -0.017 0.000 0.749 25 L CB -1.196 40.859 42.059 -0.007 0.000 0.901 25 L HN 0.308 nan 8.230 nan 0.000 0.433 26 A N 0.392 123.203 122.820 -0.015 0.000 1.842 26 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 26 A C 2.286 179.816 177.584 -0.089 0.000 1.206 26 A CA 2.281 54.309 52.037 -0.015 0.000 0.630 26 A CB -1.112 17.919 19.000 0.050 0.000 0.839 26 A HN 0.409 nan 8.150 nan 0.000 0.447 27 I N -0.939 119.512 120.570 -0.199 0.000 2.185 27 I HA -0.256 3.913 4.170 -0.000 0.000 0.246 27 I C 2.173 178.148 176.117 -0.237 0.000 1.088 27 I CA 1.486 62.536 61.300 -0.417 0.000 1.347 27 I CB -0.084 37.511 38.000 -0.674 0.000 1.041 27 I HN 0.331 nan 8.210 nan 0.000 0.415 28 L N 0.158 121.292 121.223 -0.148 0.000 1.994 28 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 28 L C 1.075 177.898 176.870 -0.078 0.000 1.071 28 L CA 1.867 56.648 54.840 -0.099 0.000 0.745 28 L CB -1.027 40.992 42.059 -0.065 0.000 0.892 28 L HN 0.247 nan 8.230 nan 0.000 0.431 29 K N -0.071 120.292 120.400 -0.062 0.000 2.602 29 K HA 0.376 4.696 4.320 -0.000 0.000 0.201 29 K C -1.199 175.380 176.600 -0.035 0.000 1.070 29 K CA 0.034 56.296 56.287 -0.042 0.000 1.026 29 K CB 0.392 32.875 32.500 -0.027 0.000 1.534 29 K HN -0.082 nan 8.250 nan 0.000 0.560 30 L N 1.378 122.573 121.223 -0.046 0.000 2.431 30 L HA 0.583 4.923 4.340 -0.000 0.000 0.266 30 L C -2.645 174.214 176.870 -0.018 0.000 0.978 30 L CA -2.215 52.609 54.840 -0.026 0.000 0.822 30 L CB 1.810 43.843 42.059 -0.042 0.000 1.310 30 L HN 0.177 nan 8.230 nan 0.000 0.409 31 P HA 0.213 nan 4.420 nan 0.000 0.265 31 P C -1.349 175.956 177.300 0.008 0.000 1.193 31 P CA -0.058 63.046 63.100 0.007 0.000 0.765 31 P CB 0.585 32.295 31.700 0.017 0.000 0.823 32 V N 0.004 119.920 119.914 0.003 0.000 2.588 32 V HA 0.957 5.077 4.120 -0.000 0.000 0.304 32 V C -0.751 175.352 176.094 0.016 0.000 1.042 32 V CA -0.966 61.337 62.300 0.004 0.000 0.877 32 V CB 1.532 33.347 31.823 -0.013 0.000 0.996 32 V HN 0.715 nan 8.190 nan 0.000 0.425 33 A N 3.148 125.980 122.820 0.020 0.000 2.609 33 A HA 0.653 4.973 4.320 -0.000 0.000 0.291 33 A C 0.346 177.937 177.584 0.012 0.000 1.096 33 A CA -0.097 51.962 52.037 0.037 0.000 0.684 33 A CB 1.874 20.906 19.000 0.053 0.000 1.282 33 A HN 0.906 nan 8.150 nan 0.000 0.412 34 Q N -0.908 118.908 119.800 0.027 0.000 2.079 34 Q HA -0.011 4.329 4.340 -0.000 0.000 0.200 34 Q C -0.660 175.098 176.000 -0.403 0.000 0.974 34 Q CA 1.711 57.451 55.803 -0.106 0.000 0.840 34 Q CB -0.027 28.745 28.738 0.057 0.000 0.898 34 Q HN 0.686 nan 8.270 nan 0.000 0.430 35 Y N -1.055 119.317 120.300 0.121 0.000 2.615 35 Y HA 0.439 4.988 4.550 -0.000 0.000 0.341 35 Y C -2.201 173.724 175.900 0.041 0.000 1.089 35 Y CA -2.590 55.562 58.100 0.087 0.000 1.049 35 Y CB 1.633 40.147 38.460 0.090 0.000 1.296 35 Y HN 0.068 nan 8.280 nan 0.000 0.470 36 P HA 0.189 nan 4.420 nan 0.000 0.278 36 P C -0.786 176.546 177.300 0.052 0.000 1.266 36 P CA -0.487 62.649 63.100 0.059 0.000 0.807 36 P CB 0.741 32.428 31.700 -0.023 0.000 1.094 37 T N 1.173 115.728 114.554 0.002 0.000 2.867 37 T HA 0.155 4.505 4.350 -0.000 0.000 0.297 37 T C 1.157 175.846 174.700 -0.018 0.000 0.989 37 T CA 0.560 62.656 62.100 -0.006 0.000 1.159 37 T CB -0.208 68.646 68.868 -0.023 0.000 0.928 37 T HN 0.305 nan 8.240 nan 0.000 0.538 38 I N 1.119 121.681 120.570 -0.013 0.000 4.738 38 I HA 0.255 4.425 4.170 -0.000 0.000 0.315 38 I C 1.301 177.407 176.117 -0.019 0.000 1.214 38 I CA -0.218 61.068 61.300 -0.023 0.000 1.337 38 I CB 0.143 38.118 38.000 -0.043 0.000 1.433 38 I HN 0.604 nan 8.210 nan 0.000 0.472 39 A N 3.903 126.714 122.820 -0.015 0.000 2.477 39 A HA 0.338 4.658 4.320 -0.000 0.000 0.246 39 A C -2.186 175.409 177.584 0.018 0.000 1.078 39 A CA -0.761 51.277 52.037 0.001 0.000 0.770 39 A CB -0.782 18.221 19.000 0.005 0.000 1.011 39 A HN 0.035 nan 8.150 nan 0.000 0.494 40 P HA 0.200 nan 4.420 nan 0.000 0.268 40 P C -2.692 174.641 177.300 0.055 0.000 1.208 40 P CA -1.016 62.113 63.100 0.049 0.000 0.777 40 P CB -0.518 31.218 31.700 0.060 0.000 0.875 41 P HA 0.209 nan 4.420 nan 0.000 0.267 41 P C -0.762 176.658 177.300 0.200 0.000 1.209 41 P CA 0.451 63.603 63.100 0.087 0.000 0.763 41 P CB 0.182 31.899 31.700 0.028 0.000 0.816 42 A N 3.377 126.282 122.820 0.142 0.000 2.356 42 A HA 0.610 4.929 4.320 -0.000 0.000 0.310 42 A C -0.870 176.805 177.584 0.152 0.000 1.075 42 A CA -0.611 51.519 52.037 0.155 0.000 0.746 42 A CB 1.265 20.300 19.000 0.058 0.000 1.221 42 A HN 0.317 nan 8.150 nan 0.000 0.443 43 V N 1.795 121.841 119.914 0.220 0.000 2.513 43 V HA 0.615 4.735 4.120 -0.000 0.000 0.299 43 V C 0.018 176.173 176.094 0.102 0.000 1.035 43 V CA -0.321 62.075 62.300 0.160 0.000 0.889 43 V CB 1.957 33.915 31.823 0.226 0.000 0.988 43 V HN 0.926 nan 8.190 nan 0.000 0.440 44 T N 5.706 120.304 114.554 0.074 0.000 2.786 44 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 44 T C -0.261 174.473 174.700 0.057 0.000 0.992 44 T CA -0.156 61.982 62.100 0.064 0.000 0.954 44 T CB 0.958 69.866 68.868 0.068 0.000 0.934 44 T HN 0.380 nan 8.240 nan 0.000 0.440 45 I N 2.838 123.440 120.570 0.053 0.000 2.297 45 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 45 I C 0.460 176.609 176.117 0.053 0.000 1.033 45 I CA -0.166 61.162 61.300 0.048 0.000 1.253 45 I CB 0.892 38.917 38.000 0.041 0.000 1.396 45 I HN 0.494 nan 8.210 nan 0.000 0.476 46 S N 4.748 120.480 115.700 0.053 0.000 2.501 46 S HA 0.883 5.353 4.470 -0.000 0.000 0.301 46 S C -0.361 174.272 174.600 0.056 0.000 1.096 46 S CA -0.561 57.675 58.200 0.061 0.000 1.063 46 S CB 1.903 65.141 63.200 0.064 0.000 1.042 46 S HN 0.728 nan 8.310 nan 0.000 0.494 47 A N 1.869 124.729 122.820 0.066 0.000 2.594 47 A HA 0.828 5.148 4.320 -0.000 0.000 0.295 47 A C -0.940 176.697 177.584 0.088 0.000 1.071 47 A CA -0.838 51.238 52.037 0.065 0.000 0.685 47 A CB 1.482 20.517 19.000 0.059 0.000 1.285 47 A HN 0.952 nan 8.150 nan 0.000 0.405 48 S N 0.269 116.026 115.700 0.094 0.000 2.614 48 S HA 0.587 5.057 4.470 -0.000 0.000 0.288 48 S C -1.146 173.562 174.600 0.180 0.000 1.137 48 S CA -0.400 57.880 58.200 0.133 0.000 0.992 48 S CB 0.940 64.209 63.200 0.115 0.000 1.026 48 S HN 0.936 nan 8.310 nan 0.000 0.486 49 Y N 4.842 125.184 120.300 0.070 0.000 2.593 49 Y HA 0.375 4.925 4.550 -0.000 0.000 0.331 49 Y C -2.373 173.579 175.900 0.086 0.000 0.986 49 Y CA -2.879 55.266 58.100 0.074 0.000 1.262 49 Y CB 1.154 39.649 38.460 0.059 0.000 1.098 49 Y HN 0.509 nan 8.280 nan 0.000 0.506 50 P HA 0.047 nan 4.420 nan 0.000 0.263 50 P C 0.699 178.132 177.300 0.221 0.000 1.195 50 P CA 1.524 64.791 63.100 0.279 0.000 0.762 50 P CB 1.089 32.972 31.700 0.306 0.000 0.799 51 G N 2.151 111.027 108.800 0.126 0.000 2.199 51 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.254 51 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.254 51 G C 0.395 175.265 174.900 -0.051 0.000 0.982 51 G CA 0.084 45.220 45.100 0.060 0.000 0.632 51 G HN 0.885 nan 8.290 nan 0.000 0.529 52 A N 1.109 123.845 122.820 -0.140 0.000 2.425 52 A HA 0.535 4.855 4.320 -0.000 0.000 0.249 52 A C 0.686 178.191 177.584 -0.132 0.000 1.084 52 A CA 0.458 52.319 52.037 -0.293 0.000 0.781 52 A CB 0.259 18.930 19.000 -0.548 0.000 1.019 52 A HN 0.704 nan 8.150 nan 0.000 0.490 53 D N 1.314 121.633 120.400 -0.135 0.000 2.383 53 D HA 0.351 4.990 4.640 -0.000 0.000 0.248 53 D C 1.089 177.356 176.300 -0.056 0.000 1.170 53 D CA 0.136 54.091 54.000 -0.074 0.000 0.977 53 D CB 1.224 41.977 40.800 -0.078 0.000 1.120 53 D HN 0.402 nan 8.370 nan 0.000 0.481 54 A N 0.540 123.342 122.820 -0.030 0.000 1.940 54 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 54 A C 2.106 179.678 177.584 -0.021 0.000 1.176 54 A CA 1.583 53.612 52.037 -0.014 0.000 0.631 54 A CB -0.616 18.378 19.000 -0.011 0.000 0.814 54 A HN 0.672 nan 8.150 nan 0.000 0.446 55 K N -0.973 119.403 120.400 -0.041 0.000 2.062 55 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 55 K C 2.029 178.615 176.600 -0.024 0.000 1.051 55 K CA 1.623 57.888 56.287 -0.036 0.000 0.941 55 K CB -0.284 32.187 32.500 -0.049 0.000 0.719 55 K HN 0.461 nan 8.250 nan 0.000 0.440 56 T N 1.342 115.865 114.554 -0.050 0.000 2.720 56 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 56 T C 1.893 176.597 174.700 0.008 0.000 1.037 56 T CA 1.823 63.888 62.100 -0.059 0.000 1.144 56 T CB -0.335 68.425 68.868 -0.180 0.000 0.864 56 T HN 0.233 nan 8.240 nan 0.000 0.444 57 V N 0.406 120.330 119.914 0.017 0.000 2.307 57 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 57 V C 2.477 178.621 176.094 0.084 0.000 1.045 57 V CA 1.618 63.979 62.300 0.100 0.000 1.024 57 V CB -1.091 30.793 31.823 0.101 0.000 0.651 57 V HN 0.341 nan 8.190 nan 0.000 0.449 58 Q N 0.250 120.080 119.800 0.050 0.000 2.061 58 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 58 Q C 1.797 177.824 176.000 0.044 0.000 0.984 58 Q CA 2.347 58.177 55.803 0.044 0.000 0.846 58 Q CB -0.188 28.568 28.738 0.030 0.000 0.902 58 Q HN 0.717 nan 8.270 nan 0.000 0.421 59 D N -1.265 119.159 120.400 0.040 0.000 2.340 59 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 59 D C 0.868 177.200 176.300 0.053 0.000 1.039 59 D CA 0.575 54.598 54.000 0.038 0.000 0.866 59 D CB 0.449 41.264 40.800 0.025 0.000 0.913 59 D HN 0.145 nan 8.370 nan 0.000 0.523 60 T N -1.222 113.380 114.554 0.079 0.000 2.987 60 T HA 0.143 4.493 4.350 -0.000 0.000 0.248 60 T C 1.648 176.404 174.700 0.092 0.000 0.997 60 T CA 0.104 62.268 62.100 0.107 0.000 1.013 60 T CB 0.953 69.940 68.868 0.197 0.000 1.077 60 T HN -0.104 nan 8.240 nan 0.000 0.483 61 V N 0.242 120.213 119.914 0.094 0.000 3.278 61 V HA 0.057 4.177 4.120 -0.000 0.000 0.215 61 V C 2.472 178.599 176.094 0.055 0.000 1.287 61 V CA 0.862 63.206 62.300 0.073 0.000 1.302 61 V CB -0.496 31.385 31.823 0.096 0.000 1.228 61 V HN 0.265 nan 8.190 nan 0.000 0.523 62 T N 0.340 114.930 114.554 0.061 0.000 2.607 62 T HA -0.315 4.035 4.350 -0.000 0.000 0.267 62 T C 1.860 176.581 174.700 0.035 0.000 1.049 62 T CA 2.325 64.454 62.100 0.048 0.000 1.162 62 T CB -0.336 68.562 68.868 0.051 0.000 0.863 62 T HN 0.410 nan 8.240 nan 0.000 0.424 63 Q N 0.056 119.877 119.800 0.035 0.000 2.135 63 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 63 Q C 2.603 178.615 176.000 0.020 0.000 0.981 63 Q CA 1.209 57.028 55.803 0.025 0.000 0.856 63 Q CB -0.400 28.353 28.738 0.026 0.000 0.902 63 Q HN 0.375 nan 8.270 nan 0.000 0.425 64 V N 0.874 120.803 119.914 0.025 0.000 2.307 64 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 64 V C 2.142 178.246 176.094 0.015 0.000 1.045 64 V CA 1.565 63.877 62.300 0.020 0.000 1.024 64 V CB -0.441 31.396 31.823 0.023 0.000 0.651 64 V HN 0.335 nan 8.190 nan 0.000 0.449 65 I N -0.227 120.354 120.570 0.018 0.000 2.179 65 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 65 I C 2.628 178.749 176.117 0.008 0.000 1.088 65 I CA 1.645 62.954 61.300 0.015 0.000 1.357 65 I CB -0.462 37.551 38.000 0.020 0.000 1.051 65 I HN 0.378 nan 8.210 nan 0.000 0.409 66 E N 0.555 120.758 120.200 0.006 0.000 2.070 66 E HA -0.318 4.032 4.350 -0.000 0.000 0.197 66 E C 2.093 178.688 176.600 -0.009 0.000 1.004 66 E CA 1.364 57.760 56.400 -0.007 0.000 0.805 66 E CB -0.247 29.449 29.700 -0.007 0.000 0.744 66 E HN 0.555 nan 8.360 nan 0.000 0.451 67 Q N -0.115 119.684 119.800 -0.002 0.000 2.515 67 Q HA -0.087 4.253 4.340 -0.000 0.000 0.215 67 Q C 1.156 177.154 176.000 -0.002 0.000 0.983 67 Q CA 0.573 56.375 55.803 -0.002 0.000 0.905 67 Q CB 0.022 28.761 28.738 0.003 0.000 0.961 67 Q HN 0.298 nan 8.270 nan 0.000 0.503 68 N N -0.928 117.772 118.700 -0.000 0.000 2.181 68 N HA 0.080 4.820 4.740 -0.000 0.000 0.207 68 N C -0.231 175.280 175.510 0.002 0.000 1.182 68 N CA -0.041 53.010 53.050 0.002 0.000 0.893 68 N CB 0.614 39.105 38.487 0.006 0.000 1.032 68 N HN 0.150 nan 8.380 nan 0.000 0.513 69 M N 2.894 122.492 119.600 -0.003 0.000 3.254 69 M HA 0.133 4.613 4.480 -0.000 0.000 0.257 69 M C -0.215 176.080 176.300 -0.008 0.000 1.490 69 M CA 0.311 55.609 55.300 -0.004 0.000 1.620 69 M CB -1.634 30.955 32.600 -0.019 0.000 1.157 69 M HN 0.160 nan 8.290 nan 0.000 0.541 70 N N -1.349 117.352 118.700 0.003 0.000 2.525 70 N HA 0.565 5.305 4.740 -0.000 0.000 0.270 70 N C 0.446 175.964 175.510 0.012 0.000 1.321 70 N CA -0.316 52.735 53.050 0.003 0.000 0.797 70 N CB 1.493 39.979 38.487 -0.003 0.000 1.529 70 N HN 0.445 nan 8.380 nan 0.000 0.491 71 G N 0.020 108.828 108.800 0.013 0.000 2.187 71 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 71 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 71 G C -0.311 174.607 174.900 0.030 0.000 1.000 71 G CA 0.365 45.475 45.100 0.018 0.000 0.718 71 G HN 0.606 nan 8.290 nan 0.000 0.519 72 I N 1.148 121.745 120.570 0.044 0.000 2.353 72 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 72 I C -0.208 175.972 176.117 0.105 0.000 0.992 72 I CA -0.884 60.464 61.300 0.081 0.000 1.268 72 I CB 1.010 39.085 38.000 0.124 0.000 1.387 72 I HN -0.039 nan 8.210 nan 0.000 0.478 73 D N 6.775 127.235 120.400 0.101 0.000 2.350 73 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 73 D C 0.334 176.745 176.300 0.184 0.000 1.119 73 D CA 0.269 54.328 54.000 0.097 0.000 0.886 73 D CB 0.722 41.549 40.800 0.045 0.000 1.195 73 D HN 0.531 nan 8.370 nan 0.000 0.437 74 N N 0.183 118.975 118.700 0.153 0.000 2.829 74 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 74 N C -0.179 175.471 175.510 0.233 0.000 1.090 74 N CA 0.105 53.268 53.050 0.189 0.000 0.781 74 N CB -1.422 37.174 38.487 0.181 0.000 1.124 74 N HN 0.326 nan 8.380 nan 0.000 0.559 75 L N 0.952 122.225 121.223 0.083 0.000 2.455 75 L HA 0.171 4.510 4.340 -0.000 0.000 0.272 75 L C 1.574 178.315 176.870 -0.214 0.000 1.174 75 L CA 0.605 55.299 54.840 -0.243 0.000 0.869 75 L CB 0.449 42.372 42.059 -0.228 0.000 1.130 75 L HN 0.191 nan 8.230 nan 0.000 0.474 76 M N 4.187 123.561 119.600 -0.377 0.000 2.553 76 M HA 0.126 4.606 4.480 -0.000 0.000 0.255 76 M C -0.742 175.382 176.300 -0.293 0.000 1.181 76 M CA 0.760 55.883 55.300 -0.295 0.000 1.210 76 M CB 0.318 32.673 32.600 -0.408 0.000 1.280 76 M HN 0.709 nan 8.290 nan 0.000 0.495 77 Y N -2.684 117.386 120.300 -0.382 0.000 2.725 77 Y HA 0.662 5.212 4.550 -0.000 0.000 0.333 77 Y C -1.101 174.539 175.900 -0.432 0.000 1.242 77 Y CA -2.030 55.806 58.100 -0.441 0.000 1.059 77 Y CB 1.038 39.204 38.460 -0.490 0.000 1.306 77 Y HN 0.017 nan 8.280 nan 0.000 0.454 78 M N 3.118 122.577 119.600 -0.234 0.000 2.224 78 M HA 0.632 5.112 4.480 -0.000 0.000 0.281 78 M C -1.764 174.431 176.300 -0.176 0.000 1.025 78 M CA -0.348 54.831 55.300 -0.201 0.000 0.954 78 M CB 1.791 34.264 32.600 -0.211 0.000 1.639 78 M HN 0.989 nan 8.290 nan 0.000 0.461 79 S N 2.827 118.533 115.700 0.009 0.000 2.600 79 S HA 0.962 5.432 4.470 -0.000 0.000 0.300 79 S C -0.738 173.910 174.600 0.080 0.000 1.087 79 S CA -0.425 57.838 58.200 0.105 0.000 0.965 79 S CB 2.044 65.410 63.200 0.278 0.000 1.089 79 S HN 0.882 nan 8.310 nan 0.000 0.496 80 S N 1.104 116.858 115.700 0.090 0.000 2.533 80 S HA 0.618 5.088 4.470 -0.000 0.000 0.271 80 S C -1.723 172.926 174.600 0.083 0.000 1.143 80 S CA -0.970 57.274 58.200 0.075 0.000 0.891 80 S CB 1.080 64.310 63.200 0.051 0.000 1.105 80 S HN 0.687 nan 8.310 nan 0.000 0.468 81 N N 1.148 119.898 118.700 0.082 0.000 2.430 81 N HA 0.674 5.414 4.740 -0.000 0.000 0.298 81 N C -1.231 174.323 175.510 0.074 0.000 1.130 81 N CA -0.667 52.431 53.050 0.080 0.000 0.894 81 N CB 1.833 40.372 38.487 0.086 0.000 1.209 81 N HN 0.645 nan 8.380 nan 0.000 0.503 82 S N 0.637 116.378 115.700 0.067 0.000 2.721 82 S HA 0.306 4.776 4.470 -0.000 0.000 0.264 82 S C -1.211 173.420 174.600 0.052 0.000 1.161 82 S CA -0.791 57.446 58.200 0.061 0.000 1.113 82 S CB 0.834 64.065 63.200 0.052 0.000 1.079 82 S HN 0.378 nan 8.310 nan 0.000 0.479 83 D N 1.450 121.885 120.400 0.058 0.000 2.332 83 D HA 0.347 4.987 4.640 -0.000 0.000 0.252 83 D C 0.890 177.214 176.300 0.040 0.000 1.050 83 D CA -0.450 53.581 54.000 0.052 0.000 0.970 83 D CB 0.966 41.804 40.800 0.064 0.000 1.141 83 D HN 0.413 nan 8.370 nan 0.000 0.485 84 S N -1.765 113.955 115.700 0.033 0.000 2.660 84 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 84 S C 1.216 175.838 174.600 0.037 0.000 0.948 84 S CA -0.077 58.137 58.200 0.022 0.000 0.948 84 S CB -0.663 62.547 63.200 0.016 0.000 0.779 84 S HN 0.520 nan 8.310 nan 0.000 0.487 85 T N -2.779 111.806 114.554 0.052 0.000 3.129 85 T HA 0.455 4.805 4.350 -0.000 0.000 0.251 85 T C 1.603 176.347 174.700 0.074 0.000 1.117 85 T CA 0.494 62.633 62.100 0.065 0.000 1.034 85 T CB -0.314 68.599 68.868 0.074 0.000 0.968 85 T HN 1.081 nan 8.240 nan 0.000 0.526 86 G N 1.566 110.406 108.800 0.067 0.000 2.157 86 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 86 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 86 G C 0.194 175.166 174.900 0.120 0.000 0.979 86 G CA 0.200 45.352 45.100 0.087 0.000 0.650 86 G HN 1.185 nan 8.290 nan 0.000 0.529 87 T N -1.840 112.775 114.554 0.102 0.000 2.867 87 T HA 0.733 5.083 4.350 -0.000 0.000 0.282 87 T C -0.258 174.501 174.700 0.099 0.000 1.000 87 T CA -0.546 61.617 62.100 0.106 0.000 1.042 87 T CB 2.862 71.792 68.868 0.104 0.000 0.973 87 T HN 0.802 nan 8.240 nan 0.000 0.465 88 V N 3.225 123.197 119.914 0.098 0.000 2.495 88 V HA 0.489 4.608 4.120 -0.000 0.000 0.298 88 V C -0.257 175.887 176.094 0.083 0.000 1.031 88 V CA -0.733 61.620 62.300 0.088 0.000 0.871 88 V CB 1.581 33.455 31.823 0.085 0.000 0.988 88 V HN 0.948 nan 8.190 nan 0.000 0.432 89 Q N 4.190 124.040 119.800 0.083 0.000 2.309 89 Q HA 0.602 4.942 4.340 -0.000 0.000 0.270 89 Q C -1.380 174.664 176.000 0.072 0.000 1.023 89 Q CA -0.418 55.434 55.803 0.083 0.000 0.758 89 Q CB 2.555 31.352 28.738 0.099 0.000 1.247 89 Q HN 0.670 nan 8.270 nan 0.000 0.455 90 I N 2.213 122.818 120.570 0.060 0.000 2.362 90 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 90 I C -0.286 175.855 176.117 0.041 0.000 0.994 90 I CA -0.434 60.893 61.300 0.044 0.000 1.158 90 I CB 2.017 40.034 38.000 0.030 0.000 1.315 90 I HN 0.380 nan 8.210 nan 0.000 0.451 91 T N 7.271 121.846 114.554 0.036 0.000 2.779 91 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 91 T C -0.379 174.290 174.700 -0.052 0.000 0.987 91 T CA -0.459 61.655 62.100 0.023 0.000 0.966 91 T CB 1.182 70.087 68.868 0.062 0.000 0.933 91 T HN 0.160 nan 8.240 nan 0.000 0.442 92 L N 3.397 124.553 121.223 -0.112 0.000 2.307 92 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 92 L C 0.550 177.116 176.870 -0.507 0.000 1.023 92 L CA -0.339 54.291 54.840 -0.350 0.000 0.810 92 L CB 1.640 43.468 42.059 -0.385 0.000 1.231 92 L HN 0.607 nan 8.230 nan 0.000 0.423 93 T N 2.357 116.459 114.554 -0.753 0.000 2.855 93 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 93 T C -0.613 173.582 174.700 -0.842 0.000 1.007 93 T CA -0.344 61.339 62.100 -0.695 0.000 1.009 93 T CB 0.908 69.215 68.868 -0.936 0.000 0.983 93 T HN 0.062 nan 8.240 nan 0.000 0.455 94 F N 0.724 120.537 119.950 -0.228 0.000 2.579 94 F HA 0.411 4.938 4.527 -0.000 0.000 0.324 94 F C 0.675 176.424 175.800 -0.085 0.000 1.058 94 F CA -1.403 56.513 58.000 -0.140 0.000 0.944 94 F CB 1.022 39.968 39.000 -0.089 0.000 1.245 94 F HN 0.372 nan 8.300 nan 0.000 0.477 95 E N 0.586 120.885 120.200 0.164 0.000 2.534 95 E HA -0.027 4.323 4.350 -0.000 0.000 0.264 95 E C -0.204 176.460 176.600 0.107 0.000 0.981 95 E CA 0.090 56.565 56.400 0.125 0.000 0.948 95 E CB 0.192 29.960 29.700 0.112 0.000 0.934 95 E HN 0.432 nan 8.360 nan 0.000 0.459 96 S N 0.896 116.651 115.700 0.092 0.000 2.558 96 S HA 0.249 4.719 4.470 -0.000 0.000 0.293 96 S C 1.326 175.953 174.600 0.045 0.000 1.292 96 S CA 0.788 59.027 58.200 0.065 0.000 1.063 96 S CB 0.339 63.579 63.200 0.066 0.000 0.831 96 S HN 0.740 nan 8.310 nan 0.000 0.499 97 G N 2.838 111.651 108.800 0.021 0.000 2.179 97 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 97 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 97 G C 0.223 175.120 174.900 -0.006 0.000 0.977 97 G CA 0.282 45.384 45.100 0.003 0.000 0.641 97 G HN 0.755 nan 8.290 nan 0.000 0.533 98 T N 1.476 116.030 114.554 -0.001 0.000 2.930 98 T HA 0.350 4.700 4.350 -0.000 0.000 0.306 98 T C 0.229 174.876 174.700 -0.089 0.000 1.045 98 T CA 0.304 62.379 62.100 -0.041 0.000 1.134 98 T CB 1.308 70.153 68.868 -0.038 0.000 0.961 98 T HN 0.297 nan 8.240 nan 0.000 0.545 99 D N 1.556 121.890 120.400 -0.111 0.000 2.358 99 D HA 0.180 4.820 4.640 -0.000 0.000 0.258 99 D C 1.012 177.200 176.300 -0.187 0.000 1.223 99 D CA -0.310 53.620 54.000 -0.118 0.000 0.886 99 D CB 1.053 41.795 40.800 -0.096 0.000 1.120 99 D HN 0.562 nan 8.370 nan 0.000 0.482 100 A N 4.581 127.308 122.820 -0.155 0.000 1.969 100 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 100 A C 1.725 179.203 177.584 -0.175 0.000 1.169 100 A CA 1.084 53.012 52.037 -0.181 0.000 0.635 100 A CB -0.007 18.930 19.000 -0.105 0.000 0.810 100 A HN 0.588 nan 8.150 nan 0.000 0.445 101 D N -0.084 120.239 120.400 -0.127 0.000 2.097 101 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 101 D C 1.783 178.011 176.300 -0.121 0.000 0.984 101 D CA 1.125 55.062 54.000 -0.104 0.000 0.826 101 D CB -0.310 40.447 40.800 -0.072 0.000 0.973 101 D HN 0.380 nan 8.370 nan 0.000 0.460 102 I N 1.696 122.186 120.570 -0.134 0.000 2.163 102 I HA -0.261 3.908 4.170 -0.000 0.000 0.243 102 I C 2.470 178.469 176.117 -0.197 0.000 1.085 102 I CA 1.090 62.309 61.300 -0.135 0.000 1.347 102 I CB -0.417 37.513 38.000 -0.116 0.000 1.044 102 I HN -0.092 nan 8.210 nan 0.000 0.408 103 A N -0.576 122.035 122.820 -0.348 0.000 1.873 103 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 103 A C 2.344 179.748 177.584 -0.300 0.000 1.193 103 A CA 2.120 53.800 52.037 -0.595 0.000 0.629 103 A CB -0.859 17.355 19.000 -1.310 0.000 0.826 103 A HN 0.525 nan 8.150 nan 0.000 0.447 104 Q N -0.774 118.902 119.800 -0.206 0.000 2.096 104 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 104 Q C 2.118 178.088 176.000 -0.050 0.000 0.982 104 Q CA 1.848 57.602 55.803 -0.082 0.000 0.850 104 Q CB -0.268 28.431 28.738 -0.065 0.000 0.901 104 Q HN 0.467 nan 8.270 nan 0.000 0.422 105 V N 0.825 120.700 119.914 -0.065 0.000 2.261 105 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 105 V C 2.154 178.233 176.094 -0.025 0.000 1.047 105 V CA 2.022 64.298 62.300 -0.040 0.000 1.015 105 V CB -0.352 31.445 31.823 -0.042 0.000 0.642 105 V HN 0.487 nan 8.190 nan 0.000 0.446 106 Q N -0.860 118.919 119.800 -0.035 0.000 2.173 106 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 106 Q C 2.207 178.223 176.000 0.027 0.000 0.989 106 Q CA 2.249 58.049 55.803 -0.005 0.000 0.872 106 Q CB -0.440 28.294 28.738 -0.007 0.000 0.909 106 Q HN 0.607 nan 8.270 nan 0.000 0.420 107 V N 0.568 120.507 119.914 0.042 0.000 2.255 107 V HA -0.258 3.862 4.120 -0.000 0.000 0.243 107 V C 2.212 178.327 176.094 0.035 0.000 1.038 107 V CA 1.991 64.331 62.300 0.066 0.000 1.008 107 V CB -0.521 31.369 31.823 0.111 0.000 0.645 107 V HN 0.359 nan 8.190 nan 0.000 0.449 108 Q N 0.648 120.461 119.800 0.021 0.000 2.439 108 Q HA -0.168 4.171 4.340 -0.000 0.000 0.211 108 Q C 1.541 177.547 176.000 0.009 0.000 0.978 108 Q CA 1.698 57.509 55.803 0.013 0.000 0.897 108 Q CB -0.111 28.630 28.738 0.005 0.000 0.956 108 Q HN 0.941 nan 8.270 nan 0.000 0.483 109 N N -2.368 116.337 118.700 0.008 0.000 2.171 109 N HA 0.054 4.794 4.740 -0.000 0.000 0.212 109 N C 0.886 176.401 175.510 0.009 0.000 1.184 109 N CA -0.384 52.669 53.050 0.006 0.000 0.888 109 N CB 0.369 38.856 38.487 0.001 0.000 1.038 109 N HN -0.081 nan 8.380 nan 0.000 0.517 110 K N 1.448 121.856 120.400 0.014 0.000 2.076 110 K HA 0.041 4.361 4.320 -0.000 0.000 0.204 110 K C 2.005 178.613 176.600 0.013 0.000 1.051 110 K CA 0.266 56.561 56.287 0.015 0.000 0.949 110 K CB -0.489 32.023 32.500 0.020 0.000 0.726 110 K HN 0.206 nan 8.250 nan 0.000 0.443 111 L N 1.756 122.989 121.223 0.016 0.000 2.043 111 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 111 L C 2.159 179.034 176.870 0.010 0.000 1.075 111 L CA 1.825 56.674 54.840 0.014 0.000 0.752 111 L CB -0.594 41.476 42.059 0.018 0.000 0.891 111 L HN 0.305 nan 8.230 nan 0.000 0.432 112 Q N -0.474 119.331 119.800 0.008 0.000 2.234 112 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 112 Q C 2.138 178.140 176.000 0.004 0.000 0.980 112 Q CA 1.544 57.350 55.803 0.005 0.000 0.869 112 Q CB -0.002 28.738 28.738 0.004 0.000 0.912 112 Q HN 0.613 nan 8.270 nan 0.000 0.436 113 L N -1.346 119.880 121.223 0.005 0.000 2.529 113 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 113 L C 1.722 178.594 176.870 0.004 0.000 1.113 113 L CA 0.292 55.134 54.840 0.004 0.000 0.861 113 L CB 0.101 42.163 42.059 0.004 0.000 1.012 113 L HN 0.095 nan 8.230 nan 0.000 0.461 114 A N -0.859 121.964 122.820 0.005 0.000 2.308 114 A HA 0.097 4.416 4.320 -0.000 0.000 0.217 114 A C 2.145 179.731 177.584 0.003 0.000 1.216 114 A CA -0.005 52.035 52.037 0.005 0.000 0.864 114 A CB -0.004 19.001 19.000 0.008 0.000 0.902 114 A HN 0.112 nan 8.150 nan 0.000 0.499 115 M N 0.255 119.856 119.600 0.001 0.000 2.080 115 M HA -0.081 4.398 4.480 -0.000 0.000 0.260 115 M C -0.839 175.457 176.300 -0.006 0.000 1.068 115 M CA 1.528 56.827 55.300 -0.003 0.000 1.109 115 M CB -2.337 30.262 32.600 -0.002 0.000 1.342 115 M HN 0.095 nan 8.290 nan 0.000 0.405 116 P HA -0.033 nan 4.420 nan 0.000 0.236 116 P C 1.188 178.485 177.300 -0.005 0.000 1.172 116 P CA 0.871 63.968 63.100 -0.006 0.000 0.759 116 P CB -0.065 31.633 31.700 -0.003 0.000 0.843 117 L N -2.509 118.712 121.223 -0.003 0.000 2.556 117 L HA 0.158 4.498 4.340 -0.000 0.000 0.226 117 L C 0.959 177.828 176.870 -0.001 0.000 1.089 117 L CA 0.445 55.285 54.840 0.000 0.000 0.864 117 L CB -0.475 41.587 42.059 0.004 0.000 1.067 117 L HN -0.106 nan 8.230 nan 0.000 0.477 118 L N 0.907 122.124 121.223 -0.009 0.000 2.399 118 L HA 0.340 4.680 4.340 -0.000 0.000 0.266 118 L C -1.855 174.988 176.870 -0.045 0.000 1.114 118 L CA -1.978 52.849 54.840 -0.021 0.000 0.804 118 L CB 0.031 42.073 42.059 -0.028 0.000 1.146 118 L HN -0.100 nan 8.230 nan 0.000 0.451 119 P HA 0.019 nan 4.420 nan 0.000 0.270 119 P C -0.365 176.848 177.300 -0.146 0.000 1.223 119 P CA -0.270 62.763 63.100 -0.111 0.000 0.785 119 P CB 0.709 32.305 31.700 -0.174 0.000 0.923 120 Q N 0.860 120.597 119.800 -0.105 0.000 2.119 120 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 120 Q C 1.750 177.694 176.000 -0.093 0.000 0.972 120 Q CA 1.681 57.438 55.803 -0.077 0.000 0.847 120 Q CB -0.168 28.543 28.738 -0.046 0.000 0.903 120 Q HN 0.556 nan 8.270 nan 0.000 0.433 121 E N 0.482 120.595 120.200 -0.145 0.000 2.077 121 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 121 E C 2.109 178.617 176.600 -0.154 0.000 0.989 121 E CA 1.108 57.434 56.400 -0.123 0.000 0.800 121 E CB -0.260 29.369 29.700 -0.118 0.000 0.746 121 E HN 0.047 nan 8.360 nan 0.000 0.452 122 V N 0.932 120.651 119.914 -0.325 0.000 2.343 122 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 122 V C 2.314 178.359 176.094 -0.081 0.000 1.051 122 V CA 1.926 64.099 62.300 -0.211 0.000 1.036 122 V CB -0.500 31.170 31.823 -0.255 0.000 0.654 122 V HN 0.272 nan 8.190 nan 0.000 0.451 123 Q N -0.104 119.651 119.800 -0.075 0.000 2.084 123 Q HA -0.285 4.054 4.340 -0.000 0.000 0.202 123 Q C 2.378 178.384 176.000 0.009 0.000 0.978 123 Q CA 2.093 57.879 55.803 -0.028 0.000 0.844 123 Q CB -0.125 28.595 28.738 -0.030 0.000 0.898 123 Q HN 0.884 nan 8.270 nan 0.000 0.426 124 Q N -0.636 119.184 119.800 0.033 0.000 2.378 124 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 124 Q C 1.722 177.816 176.000 0.156 0.000 0.954 124 Q CA 0.884 56.757 55.803 0.117 0.000 0.901 124 Q CB 0.013 28.832 28.738 0.136 0.000 0.981 124 Q HN 0.133 nan 8.270 nan 0.000 0.483 125 Q N 1.047 120.896 119.800 0.082 0.000 2.137 125 Q HA 0.175 4.515 4.340 -0.000 0.000 0.198 125 Q C 0.309 176.311 176.000 0.004 0.000 0.960 125 Q CA 1.397 57.214 55.803 0.023 0.000 0.847 125 Q CB 0.308 29.070 28.738 0.042 0.000 0.915 125 Q HN 0.536 nan 8.270 nan 0.000 0.448 126 G N -1.558 107.250 108.800 0.013 0.000 2.570 126 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 126 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 126 G C -1.496 173.412 174.900 0.013 0.000 1.257 126 G CA -0.557 44.549 45.100 0.010 0.000 0.846 126 G HN 0.271 nan 8.290 nan 0.000 0.627 127 V N 0.646 120.568 119.914 0.013 0.000 2.569 127 V HA 0.668 4.787 4.120 -0.000 0.000 0.301 127 V C 0.392 176.497 176.094 0.019 0.000 1.044 127 V CA -0.559 61.752 62.300 0.019 0.000 0.874 127 V CB 1.715 33.548 31.823 0.017 0.000 1.002 127 V HN 1.044 nan 8.190 nan 0.000 0.424 128 S N 3.108 118.823 115.700 0.024 0.000 2.554 128 S HA 0.731 5.201 4.470 -0.000 0.000 0.278 128 S C -0.350 174.266 174.600 0.025 0.000 1.242 128 S CA -0.463 57.750 58.200 0.022 0.000 1.051 128 S CB 1.734 64.948 63.200 0.024 0.000 0.986 128 S HN 0.497 nan 8.310 nan 0.000 0.502 129 V N 3.265 123.190 119.914 0.020 0.000 2.531 129 V HA 0.538 4.658 4.120 -0.000 0.000 0.301 129 V C -0.468 175.636 176.094 0.016 0.000 1.034 129 V CA -0.519 61.795 62.300 0.024 0.000 0.865 129 V CB 1.823 33.659 31.823 0.022 0.000 0.995 129 V HN 0.911 nan 8.190 nan 0.000 0.424 130 E N 2.416 122.629 120.200 0.021 0.000 2.433 130 E HA 0.559 4.909 4.350 -0.000 0.000 0.278 130 E C -1.473 175.135 176.600 0.013 0.000 0.976 130 E CA -1.163 55.243 56.400 0.010 0.000 0.793 130 E CB 2.372 32.078 29.700 0.009 0.000 1.311 130 E HN 0.420 nan 8.360 nan 0.000 0.460 131 K N 0.432 120.830 120.400 -0.005 0.000 2.205 131 K HA 0.223 4.543 4.320 -0.000 0.000 0.279 131 K C 0.244 176.842 176.600 -0.004 0.000 1.027 131 K CA 0.006 56.291 56.287 -0.003 0.000 0.932 131 K CB 1.134 33.620 32.500 -0.024 0.000 1.032 131 K HN 0.283 nan 8.250 nan 0.000 0.466 132 S N 2.004 117.713 115.700 0.015 0.000 2.685 132 S HA -0.008 4.461 4.470 -0.000 0.000 0.240 132 S C -0.198 174.402 174.600 0.000 0.000 0.967 132 S CA -0.426 57.786 58.200 0.020 0.000 1.009 132 S CB -0.505 62.725 63.200 0.049 0.000 0.776 132 S HN 0.573 nan 8.310 nan 0.000 0.467 133 S N 1.076 116.757 115.700 -0.032 0.000 2.437 133 S HA 0.167 4.637 4.470 -0.000 0.000 0.304 133 S C 0.754 175.295 174.600 -0.098 0.000 1.167 133 S CA -0.450 57.722 58.200 -0.047 0.000 1.106 133 S CB 0.535 63.705 63.200 -0.050 0.000 1.099 133 S HN 0.276 nan 8.310 nan 0.000 0.524 134 S N 3.389 119.063 115.700 -0.044 0.000 2.727 134 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 134 S C 0.382 174.968 174.600 -0.023 0.000 0.963 134 S CA -0.114 58.070 58.200 -0.026 0.000 0.950 134 S CB -0.230 63.017 63.200 0.080 0.000 0.779 134 S HN 0.738 nan 8.310 nan 0.000 0.532 135 S N 2.409 118.071 115.700 -0.062 0.000 2.409 135 S HA 0.383 4.853 4.470 -0.000 0.000 0.308 135 S C -0.241 174.349 174.600 -0.016 0.000 1.080 135 S CA -0.474 57.752 58.200 0.043 0.000 1.081 135 S CB -0.204 63.048 63.200 0.086 0.000 1.009 135 S HN 0.263 nan 8.310 nan 0.000 0.502 136 F N 2.407 122.430 119.950 0.121 0.000 2.427 136 F HA 0.216 4.742 4.527 -0.000 0.000 0.352 136 F C 1.175 177.144 175.800 0.280 0.000 1.100 136 F CA -0.628 57.466 58.000 0.156 0.000 1.191 136 F CB 0.658 39.721 39.000 0.105 0.000 1.128 136 F HN 0.426 nan 8.300 nan 0.000 0.533 137 L N 3.691 125.131 121.223 0.362 0.000 2.072 137 L HA 0.116 4.456 4.340 -0.000 0.000 0.205 137 L C 0.340 177.407 176.870 0.327 0.000 1.079 137 L CA 1.488 56.502 54.840 0.289 0.000 0.752 137 L CB -0.067 42.093 42.059 0.168 0.000 0.906 137 L HN 0.639 nan 8.230 nan 0.000 0.436 138 M N -0.493 119.338 119.600 0.386 0.000 2.307 138 M HA 0.305 4.785 4.480 -0.000 0.000 0.279 138 M C -2.004 174.495 176.300 0.332 0.000 1.080 138 M CA -0.513 54.987 55.300 0.333 0.000 0.964 138 M CB 1.518 34.233 32.600 0.192 0.000 1.825 138 M HN -0.302 nan 8.290 nan 0.000 0.489 139 V N 5.304 125.419 119.914 0.335 0.000 2.350 139 V HA 0.465 4.584 4.120 -0.000 0.000 0.276 139 V C -0.276 175.875 176.094 0.094 0.000 1.028 139 V CA -0.519 61.877 62.300 0.159 0.000 0.860 139 V CB 1.485 33.300 31.823 -0.014 0.000 0.990 139 V HN 0.667 nan 8.190 nan 0.000 0.453 140 V N 4.241 124.173 119.914 0.029 0.000 2.472 140 V HA 0.780 4.900 4.120 -0.000 0.000 0.290 140 V C 0.724 176.712 176.094 -0.177 0.000 1.037 140 V CA -0.214 62.031 62.300 -0.092 0.000 0.908 140 V CB 1.777 33.549 31.823 -0.085 0.000 0.985 140 V HN 0.934 nan 8.190 nan 0.000 0.454 141 G N 2.766 111.374 108.800 -0.320 0.000 2.452 141 G HA2 0.637 4.597 3.960 -0.000 0.000 0.324 141 G HA3 0.637 4.597 3.960 -0.000 0.000 0.324 141 G C -1.350 173.355 174.900 -0.326 0.000 1.214 141 G CA -0.483 44.437 45.100 -0.301 0.000 0.947 141 G HN 0.547 nan 8.290 nan 0.000 0.478 142 V N 2.909 122.703 119.914 -0.200 0.000 2.448 142 V HA 0.573 4.693 4.120 -0.000 0.000 0.295 142 V C 0.214 176.204 176.094 -0.174 0.000 1.025 142 V CA -0.605 61.553 62.300 -0.237 0.000 0.859 142 V CB 0.993 32.688 31.823 -0.212 0.000 0.988 142 V HN 0.791 nan 8.190 nan 0.000 0.431 143 I N 1.059 121.499 120.570 -0.217 0.000 2.957 143 I HA 0.653 4.823 4.170 -0.000 0.000 0.310 143 I C -0.412 175.632 176.117 -0.122 0.000 1.063 143 I CA -0.737 60.487 61.300 -0.126 0.000 1.033 143 I CB 2.262 40.197 38.000 -0.108 0.000 1.230 143 I HN 0.536 nan 8.210 nan 0.000 0.447 144 N N 2.089 120.750 118.700 -0.064 0.000 2.511 144 N HA 0.181 4.921 4.740 -0.000 0.000 0.249 144 N C 0.423 175.920 175.510 -0.022 0.000 0.971 144 N CA -0.207 52.807 53.050 -0.059 0.000 0.938 144 N CB 1.589 40.047 38.487 -0.048 0.000 1.131 144 N HN 0.898 nan 8.380 nan 0.000 0.505 145 T N -0.235 114.305 114.554 -0.024 0.000 3.085 145 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 145 T C 0.583 175.286 174.700 0.005 0.000 1.127 145 T CA 0.683 62.785 62.100 0.002 0.000 1.103 145 T CB 0.185 69.055 68.868 0.003 0.000 0.921 145 T HN 0.317 nan 8.240 nan 0.000 0.510 146 D N 1.298 121.696 120.400 -0.004 0.000 2.354 146 D HA 0.229 4.869 4.640 -0.000 0.000 0.209 146 D C 1.715 178.019 176.300 0.006 0.000 1.015 146 D CA 0.716 54.717 54.000 0.001 0.000 0.867 146 D CB -0.404 40.394 40.800 -0.004 0.000 0.933 146 D HN 0.546 nan 8.370 nan 0.000 0.520 147 G N 0.811 109.615 108.800 0.007 0.000 2.249 147 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.273 147 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.273 147 G C 1.097 176.005 174.900 0.014 0.000 1.036 147 G CA 1.100 46.208 45.100 0.013 0.000 0.824 147 G HN 0.338 nan 8.290 nan 0.000 0.504 148 T N -0.422 114.137 114.554 0.009 0.000 3.035 148 T HA 0.346 4.696 4.350 -0.000 0.000 0.259 148 T C 1.213 175.928 174.700 0.025 0.000 1.078 148 T CA 1.385 63.493 62.100 0.014 0.000 1.132 148 T CB 0.016 68.888 68.868 0.007 0.000 0.900 148 T HN 0.813 nan 8.240 nan 0.000 0.480 149 M N 1.271 120.884 119.600 0.021 0.000 2.530 149 M HA 0.625 5.105 4.480 -0.000 0.000 0.307 149 M C -0.152 176.175 176.300 0.045 0.000 1.161 149 M CA -1.144 54.181 55.300 0.041 0.000 0.903 149 M CB 1.711 34.331 32.600 0.034 0.000 1.711 149 M HN -0.066 nan 8.290 nan 0.000 0.451 150 T N -1.306 113.292 114.554 0.073 0.000 2.788 150 T HA 0.188 4.538 4.350 -0.000 0.000 0.287 150 T C 1.057 175.793 174.700 0.061 0.000 1.007 150 T CA 0.024 62.167 62.100 0.072 0.000 1.005 150 T CB 0.944 69.872 68.868 0.100 0.000 1.012 150 T HN 0.956 nan 8.240 nan 0.000 0.530 151 Q N 0.145 119.973 119.800 0.047 0.000 2.170 151 Q HA -0.190 4.150 4.340 -0.000 0.000 0.203 151 Q C 1.642 177.654 176.000 0.019 0.000 0.976 151 Q CA 1.722 57.541 55.803 0.026 0.000 0.858 151 Q CB -0.353 28.393 28.738 0.013 0.000 0.907 151 Q HN 0.784 nan 8.270 nan 0.000 0.433 152 E N 1.464 121.694 120.200 0.050 0.000 2.072 152 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 152 E C 1.659 178.303 176.600 0.073 0.000 0.985 152 E CA 1.507 57.949 56.400 0.070 0.000 0.801 152 E CB -0.080 29.716 29.700 0.161 0.000 0.750 152 E HN 0.473 nan 8.360 nan 0.000 0.452 153 D N 0.058 120.559 120.400 0.168 0.000 2.097 153 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 153 D C 2.054 178.346 176.300 -0.013 0.000 0.989 153 D CA 0.916 55.016 54.000 0.166 0.000 0.827 153 D CB -0.202 40.725 40.800 0.211 0.000 0.966 153 D HN 0.221 nan 8.370 nan 0.000 0.456 154 I N 0.960 121.526 120.570 -0.006 0.000 2.163 154 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 154 I C 2.420 178.515 176.117 -0.036 0.000 1.081 154 I CA 0.808 62.093 61.300 -0.025 0.000 1.353 154 I CB -0.339 37.642 38.000 -0.033 0.000 1.054 154 I HN -0.134 nan 8.210 nan 0.000 0.407 155 S N 0.245 115.909 115.700 -0.059 0.000 2.407 155 S HA -0.297 4.173 4.470 -0.000 0.000 0.235 155 S C 1.630 176.144 174.600 -0.143 0.000 1.036 155 S CA 2.089 60.243 58.200 -0.076 0.000 1.013 155 S CB -0.480 62.680 63.200 -0.066 0.000 0.820 155 S HN 0.519 nan 8.310 nan 0.000 0.476 156 D N -0.492 119.737 120.400 -0.284 0.000 2.123 156 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 156 D C 1.735 177.914 176.300 -0.202 0.000 0.976 156 D CA 0.767 54.522 54.000 -0.408 0.000 0.831 156 D CB -0.145 39.993 40.800 -1.104 0.000 0.974 156 D HN 0.453 nan 8.370 nan 0.000 0.469 157 Y N 0.236 120.410 120.300 -0.209 0.000 2.224 157 Y HA -0.157 4.393 4.550 -0.000 0.000 0.289 157 Y C 2.074 177.930 175.900 -0.073 0.000 1.146 157 Y CA 1.132 59.175 58.100 -0.095 0.000 1.182 157 Y CB -0.184 38.242 38.460 -0.057 0.000 0.983 157 Y HN -0.101 nan 8.280 nan 0.000 0.524 158 V N 0.140 120.089 119.914 0.057 0.000 2.287 158 V HA -0.378 3.741 4.120 -0.000 0.000 0.248 158 V C 2.564 178.610 176.094 -0.081 0.000 1.053 158 V CA 1.884 64.180 62.300 -0.008 0.000 1.027 158 V CB -1.569 30.237 31.823 -0.028 0.000 0.646 158 V HN 0.552 nan 8.190 nan 0.000 0.447 159 A N -0.029 122.728 122.820 -0.105 0.000 1.841 159 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 159 A C 2.386 179.891 177.584 -0.133 0.000 1.195 159 A CA 1.923 53.893 52.037 -0.112 0.000 0.611 159 A CB -0.931 18.004 19.000 -0.109 0.000 0.835 159 A HN 0.565 nan 8.150 nan 0.000 0.443 160 A N -0.871 121.848 122.820 -0.169 0.000 2.015 160 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 160 A C 1.634 179.082 177.584 -0.227 0.000 1.163 160 A CA 1.526 53.457 52.037 -0.176 0.000 0.646 160 A CB -0.273 18.629 19.000 -0.163 0.000 0.806 160 A HN 0.561 nan 8.150 nan 0.000 0.448 161 N N -2.477 116.023 118.700 -0.332 0.000 2.143 161 N HA 0.308 5.048 4.740 -0.000 0.000 0.222 161 N C 0.831 176.232 175.510 -0.182 0.000 1.264 161 N CA 0.294 53.123 53.050 -0.369 0.000 0.897 161 N CB 0.743 38.710 38.487 -0.867 0.000 1.092 161 N HN 0.440 nan 8.380 nan 0.000 0.516 162 M N -0.462 119.068 119.600 -0.115 0.000 2.069 162 M HA 0.118 4.598 4.480 -0.000 0.000 0.208 162 M C 1.863 178.139 176.300 -0.040 0.000 1.459 162 M CA 0.192 55.479 55.300 -0.022 0.000 0.992 162 M CB 0.675 33.304 32.600 0.048 0.000 1.566 162 M HN -0.193 nan 8.290 nan 0.000 0.571 163 K N 1.294 121.656 120.400 -0.062 0.000 2.044 163 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 163 K C 1.068 177.635 176.600 -0.056 0.000 1.049 163 K CA 2.415 58.663 56.287 -0.064 0.000 0.927 163 K CB 0.012 32.465 32.500 -0.079 0.000 0.713 163 K HN 0.165 nan 8.250 nan 0.000 0.443 164 D N -0.011 120.352 120.400 -0.061 0.000 2.144 164 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 164 D C 1.740 178.011 176.300 -0.048 0.000 0.984 164 D CA 1.312 55.279 54.000 -0.054 0.000 0.834 164 D CB -0.207 40.557 40.800 -0.059 0.000 0.955 164 D HN 0.406 nan 8.370 nan 0.000 0.465 165 A N 0.268 123.059 122.820 -0.049 0.000 1.898 165 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 165 A C 2.196 179.763 177.584 -0.028 0.000 1.181 165 A CA 0.823 52.833 52.037 -0.044 0.000 0.620 165 A CB -0.547 18.423 19.000 -0.049 0.000 0.819 165 A HN 0.129 nan 8.150 nan 0.000 0.442 166 I N 1.003 121.561 120.570 -0.020 0.000 2.252 166 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 166 I C 2.686 178.794 176.117 -0.015 0.000 1.102 166 I CA 1.753 63.048 61.300 -0.009 0.000 1.385 166 I CB -0.210 37.787 38.000 -0.004 0.000 1.064 166 I HN 0.390 nan 8.210 nan 0.000 0.414 167 S N 0.418 116.103 115.700 -0.025 0.000 2.442 167 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 167 S C 2.010 176.596 174.600 -0.023 0.000 1.007 167 S CA 0.693 58.877 58.200 -0.026 0.000 0.965 167 S CB -0.524 62.655 63.200 -0.034 0.000 0.773 167 S HN 0.425 nan 8.310 nan 0.000 0.504 168 R N 1.256 121.741 120.500 -0.025 0.000 2.153 168 R HA 0.076 4.416 4.340 -0.000 0.000 0.218 168 R C 0.333 176.622 176.300 -0.019 0.000 1.072 168 R CA 0.731 56.816 56.100 -0.024 0.000 0.990 168 R CB -0.704 29.578 30.300 -0.029 0.000 0.889 168 R HN 0.329 nan 8.270 nan 0.000 0.452 169 T N 2.092 116.637 114.554 -0.015 0.000 2.939 169 T HA -0.054 4.296 4.350 -0.000 0.000 0.312 169 T C 0.520 175.216 174.700 -0.008 0.000 1.064 169 T CA 0.144 62.239 62.100 -0.009 0.000 1.136 169 T CB 0.753 69.621 68.868 -0.000 0.000 1.035 169 T HN 0.275 nan 8.240 nan 0.000 0.538 170 S N 2.079 117.775 115.700 -0.008 0.000 2.525 170 S HA 0.406 4.875 4.470 -0.000 0.000 0.285 170 S C 1.477 176.075 174.600 -0.004 0.000 1.283 170 S CA -0.229 57.966 58.200 -0.008 0.000 1.072 170 S CB 0.134 63.329 63.200 -0.009 0.000 0.867 170 S HN 1.607 nan 8.310 nan 0.000 0.492 171 G N 1.647 110.444 108.800 -0.004 0.000 2.157 171 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 171 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 171 G C -0.016 174.886 174.900 0.004 0.000 0.979 171 G CA -0.095 45.005 45.100 -0.000 0.000 0.650 171 G HN 1.247 nan 8.290 nan 0.000 0.529 172 V N 1.435 121.350 119.914 0.001 0.000 2.353 172 V HA 0.551 4.671 4.120 -0.000 0.000 0.264 172 V C 1.664 177.754 176.094 -0.007 0.000 1.049 172 V CA 0.754 63.056 62.300 0.002 0.000 0.896 172 V CB 0.894 32.718 31.823 0.002 0.000 1.025 172 V HN 0.490 nan 8.190 nan 0.000 0.475 173 G N 3.703 112.498 108.800 -0.009 0.000 2.603 173 G HA2 0.083 4.043 3.960 -0.000 0.000 0.214 173 G HA3 0.083 4.043 3.960 -0.000 0.000 0.214 173 G C 0.127 175.008 174.900 -0.032 0.000 1.140 173 G CA 0.329 45.417 45.100 -0.021 0.000 0.800 173 G HN 0.667 nan 8.290 nan 0.000 0.533 174 D N -1.913 118.468 120.400 -0.032 0.000 2.706 174 D HA 0.400 5.040 4.640 -0.000 0.000 0.227 174 D C -1.423 174.855 176.300 -0.036 0.000 1.233 174 D CA -0.390 53.585 54.000 -0.043 0.000 0.768 174 D CB 2.136 42.896 40.800 -0.067 0.000 1.490 174 D HN -0.088 nan 8.370 nan 0.000 0.458 175 V N 2.797 122.682 119.914 -0.047 0.000 2.447 175 V HA 0.419 4.539 4.120 -0.000 0.000 0.292 175 V C -0.581 175.452 176.094 -0.101 0.000 1.021 175 V CA -0.742 61.518 62.300 -0.067 0.000 0.850 175 V CB 1.463 33.247 31.823 -0.065 0.000 1.005 175 V HN 0.536 nan 8.190 nan 0.000 0.426 176 Q N 4.170 123.881 119.800 -0.148 0.000 2.290 176 Q HA 0.543 4.883 4.340 -0.000 0.000 0.259 176 Q C -0.935 174.818 176.000 -0.412 0.000 0.941 176 Q CA -0.613 55.068 55.803 -0.204 0.000 0.912 176 Q CB 1.892 30.567 28.738 -0.105 0.000 1.244 176 Q HN 0.752 nan 8.270 nan 0.000 0.441 177 L N 5.093 126.160 121.223 -0.260 0.000 2.410 177 L HA 0.206 4.546 4.340 -0.000 0.000 0.273 177 L C -0.802 175.958 176.870 -0.183 0.000 1.152 177 L CA 0.026 54.726 54.840 -0.233 0.000 0.855 177 L CB 0.273 42.266 42.059 -0.111 0.000 1.129 177 L HN 0.764 nan 8.230 nan 0.000 0.463 178 F N 4.623 124.552 119.950 -0.036 0.000 2.499 178 F HA 0.467 4.994 4.527 -0.000 0.000 0.353 178 F C 0.971 176.751 175.800 -0.033 0.000 1.196 178 F CA -0.162 57.816 58.000 -0.036 0.000 1.244 178 F CB 0.642 39.644 39.000 0.003 0.000 1.577 178 F HN 0.666 nan 8.300 nan 0.000 0.614 179 G N 0.646 109.517 108.800 0.120 0.000 2.353 179 G HA2 0.053 4.013 3.960 -0.000 0.000 0.424 179 G HA3 0.053 4.013 3.960 -0.000 0.000 0.424 179 G C -1.517 173.370 174.900 -0.020 0.000 1.320 179 G CA -1.204 43.913 45.100 0.028 0.000 0.995 179 G HN 0.270 nan 8.290 nan 0.000 0.580 180 S N 0.003 115.669 115.700 -0.057 0.000 2.489 180 S HA 0.574 5.043 4.470 -0.000 0.000 0.291 180 S C 0.361 174.916 174.600 -0.074 0.000 1.151 180 S CA -0.494 57.665 58.200 -0.068 0.000 1.082 180 S CB 1.751 64.888 63.200 -0.106 0.000 1.019 180 S HN 0.786 nan 8.310 nan 0.000 0.492 181 Q N 0.816 120.581 119.800 -0.059 0.000 2.540 181 Q HA 0.060 4.400 4.340 -0.000 0.000 0.256 181 Q C -0.873 175.143 176.000 0.027 0.000 1.084 181 Q CA 0.027 55.791 55.803 -0.065 0.000 0.956 181 Q CB 0.225 28.946 28.738 -0.027 0.000 1.303 181 Q HN 0.591 nan 8.270 nan 0.000 0.509 182 Y N -0.110 120.213 120.300 0.039 0.000 2.457 182 Y HA 0.305 4.855 4.550 -0.000 0.000 0.341 182 Y C 0.247 176.226 175.900 0.130 0.000 1.240 182 Y CA -0.142 58.007 58.100 0.081 0.000 1.437 182 Y CB 0.735 39.265 38.460 0.116 0.000 1.328 182 Y HN 0.589 nan 8.280 nan 0.000 0.588 183 A N 3.104 126.128 122.820 0.340 0.000 2.486 183 A HA 0.579 4.898 4.320 -0.000 0.000 0.300 183 A C -0.975 176.704 177.584 0.157 0.000 1.048 183 A CA -1.013 51.217 52.037 0.321 0.000 0.696 183 A CB 1.109 20.290 19.000 0.302 0.000 1.278 183 A HN 0.690 nan 8.150 nan 0.000 0.405 184 M N 1.645 121.239 119.600 -0.010 0.000 2.356 184 M HA 0.323 4.803 4.480 -0.000 0.000 0.348 184 M C 0.010 176.109 176.300 -0.335 0.000 1.595 184 M CA 0.598 55.577 55.300 -0.535 0.000 1.095 184 M CB -0.566 31.167 32.600 -1.446 0.000 1.963 184 M HN 0.559 nan 8.290 nan 0.000 0.459 185 R N 4.843 125.160 120.500 -0.306 0.000 2.295 185 R HA 0.645 4.984 4.340 -0.000 0.000 0.324 185 R C -1.476 174.510 176.300 -0.522 0.000 0.968 185 R CA -0.124 55.726 56.100 -0.416 0.000 0.837 185 R CB 0.768 30.875 30.300 -0.323 0.000 1.133 185 R HN 0.799 nan 8.270 nan 0.000 0.450 186 I N 4.062 124.298 120.570 -0.558 0.000 2.390 186 I HA 0.301 4.470 4.170 -0.000 0.000 0.283 186 I C -0.858 175.079 176.117 -0.301 0.000 1.016 186 I CA -0.338 60.775 61.300 -0.310 0.000 1.151 186 I CB 1.162 39.082 38.000 -0.134 0.000 1.293 186 I HN 0.499 nan 8.210 nan 0.000 0.458 187 W N 7.399 128.733 121.300 0.057 0.000 2.288 187 W HA 0.513 5.173 4.660 -0.000 0.000 0.325 187 W C -0.034 176.544 176.519 0.099 0.000 1.019 187 W CA -0.688 56.699 57.345 0.070 0.000 1.403 187 W CB 0.644 30.131 29.460 0.045 0.000 1.226 187 W HN 0.237 nan 8.180 nan 0.000 0.391 188 M N 3.491 123.288 119.600 0.328 0.000 2.228 188 M HA 0.055 4.535 4.480 -0.000 0.000 0.351 188 M C 0.454 176.882 176.300 0.214 0.000 1.233 188 M CA 0.339 55.803 55.300 0.273 0.000 1.129 188 M CB 0.467 33.266 32.600 0.330 0.000 1.604 188 M HN 0.302 nan 8.290 nan 0.000 0.457 189 N N 5.037 123.749 118.700 0.020 0.000 2.469 189 N HA 0.288 5.028 4.740 -0.000 0.000 0.253 189 N C -2.192 173.019 175.510 -0.499 0.000 0.970 189 N CA -1.955 50.895 53.050 -0.333 0.000 0.940 189 N CB 1.766 40.139 38.487 -0.189 0.000 1.128 189 N HN 0.309 nan 8.380 nan 0.000 0.503 190 P HA -0.067 nan 4.420 nan 0.000 0.217 190 P C 0.660 177.637 177.300 -0.539 0.000 1.151 190 P CA 1.030 63.541 63.100 -0.981 0.000 0.828 190 P CB 0.578 31.139 31.700 -1.899 0.000 0.788 191 N N 0.743 119.110 118.700 -0.555 0.000 2.069 191 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 191 N C 1.774 177.115 175.510 -0.282 0.000 1.031 191 N CA 1.334 54.183 53.050 -0.335 0.000 0.852 191 N CB -0.811 37.518 38.487 -0.263 0.000 1.018 191 N HN 0.371 nan 8.380 nan 0.000 0.423 192 E N 0.492 120.544 120.200 -0.246 0.000 2.150 192 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 192 E C 2.033 178.587 176.600 -0.076 0.000 0.985 192 E CA 0.404 56.711 56.400 -0.154 0.000 0.814 192 E CB -0.078 29.613 29.700 -0.015 0.000 0.752 192 E HN 0.298 nan 8.360 nan 0.000 0.466 193 L N 0.987 122.169 121.223 -0.068 0.000 2.056 193 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 193 L C 2.434 179.301 176.870 -0.005 0.000 1.078 193 L CA 0.986 55.847 54.840 0.035 0.000 0.749 193 L CB -0.376 41.721 42.059 0.063 0.000 0.901 193 L HN 0.233 nan 8.230 nan 0.000 0.433 194 N N 0.269 118.899 118.700 -0.116 0.000 2.216 194 N HA -0.230 4.510 4.740 -0.000 0.000 0.183 194 N C 1.930 177.292 175.510 -0.246 0.000 1.017 194 N CA 0.785 53.723 53.050 -0.187 0.000 0.861 194 N CB 0.195 38.473 38.487 -0.348 0.000 0.986 194 N HN 0.188 nan 8.380 nan 0.000 0.428 195 K N 0.202 120.396 120.400 -0.343 0.000 2.063 195 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 195 K C 0.725 177.027 176.600 -0.496 0.000 1.048 195 K CA 1.439 57.425 56.287 -0.502 0.000 0.928 195 K CB -0.103 31.954 32.500 -0.737 0.000 0.713 195 K HN 0.169 nan 8.250 nan 0.000 0.442 196 F N 1.133 121.053 119.950 -0.050 0.000 2.645 196 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 196 F C -0.063 175.725 175.800 -0.019 0.000 1.115 196 F CA -0.362 57.620 58.000 -0.029 0.000 1.355 196 F CB 0.201 39.191 39.000 -0.017 0.000 1.026 196 F HN 0.051 nan 8.300 nan 0.000 0.536 197 Q N 0.362 120.200 119.800 0.063 0.000 2.481 197 Q HA -0.210 4.130 4.340 -0.000 0.000 0.272 197 Q C -0.624 175.429 176.000 0.089 0.000 1.157 197 Q CA 0.417 56.249 55.803 0.048 0.000 0.935 197 Q CB -1.969 26.793 28.738 0.040 0.000 1.338 197 Q HN 0.505 nan 8.270 nan 0.000 0.494 198 L N -0.211 121.083 121.223 0.119 0.000 2.319 198 L HA 0.703 5.043 4.340 -0.000 0.000 0.267 198 L C 0.708 177.670 176.870 0.153 0.000 1.011 198 L CA -0.503 54.413 54.840 0.127 0.000 0.818 198 L CB 1.862 44.001 42.059 0.133 0.000 1.316 198 L HN 0.142 nan 8.230 nan 0.000 0.432 199 T N -2.964 111.683 114.554 0.156 0.000 2.926 199 T HA 0.450 4.800 4.350 -0.000 0.000 0.289 199 T C -2.289 172.522 174.700 0.185 0.000 1.054 199 T CA -2.017 60.206 62.100 0.204 0.000 1.015 199 T CB 1.961 70.945 68.868 0.194 0.000 1.167 199 T HN 0.225 nan 8.240 nan 0.000 0.526 200 P HA -0.140 nan 4.420 nan 0.000 0.216 200 P C 1.770 179.134 177.300 0.107 0.000 1.154 200 P CA 0.814 64.011 63.100 0.163 0.000 0.865 200 P CB -0.277 31.513 31.700 0.149 0.000 0.789 201 V N 0.436 120.410 119.914 0.099 0.000 2.380 201 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 201 V C 1.967 178.092 176.094 0.052 0.000 1.063 201 V CA 2.119 64.458 62.300 0.064 0.000 1.055 201 V CB -1.182 30.675 31.823 0.057 0.000 0.657 201 V HN 0.198 nan 8.190 nan 0.000 0.455 202 D N -0.051 120.388 120.400 0.065 0.000 2.123 202 D HA -0.091 4.548 4.640 -0.000 0.000 0.200 202 D C 2.244 178.569 176.300 0.043 0.000 0.976 202 D CA 1.214 55.244 54.000 0.050 0.000 0.831 202 D CB -0.068 40.767 40.800 0.059 0.000 0.974 202 D HN 0.368 nan 8.370 nan 0.000 0.469 203 V N 1.836 121.787 119.914 0.060 0.000 2.287 203 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 203 V C 2.576 178.692 176.094 0.035 0.000 1.053 203 V CA 1.276 63.608 62.300 0.054 0.000 1.027 203 V CB -0.411 31.458 31.823 0.078 0.000 0.646 203 V HN 0.151 nan 8.190 nan 0.000 0.447 204 I N -0.243 120.346 120.570 0.032 0.000 2.142 204 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 204 I C 2.592 178.707 176.117 -0.003 0.000 1.078 204 I CA 2.015 63.322 61.300 0.010 0.000 1.343 204 I CB -0.815 37.189 38.000 0.007 0.000 1.046 204 I HN 0.294 nan 8.210 nan 0.000 0.405 205 T N 0.870 115.424 114.554 0.001 0.000 2.665 205 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 205 T C 2.026 176.717 174.700 -0.015 0.000 1.035 205 T CA 1.712 63.807 62.100 -0.008 0.000 1.151 205 T CB -0.440 68.427 68.868 -0.002 0.000 0.862 205 T HN 0.514 nan 8.240 nan 0.000 0.438 206 A N 1.038 123.852 122.820 -0.010 0.000 1.877 206 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 206 A C 2.304 179.865 177.584 -0.038 0.000 1.186 206 A CA 1.451 53.475 52.037 -0.023 0.000 0.620 206 A CB -0.820 18.171 19.000 -0.016 0.000 0.822 206 A HN 0.543 nan 8.150 nan 0.000 0.443 207 I N -0.564 119.992 120.570 -0.022 0.000 2.163 207 I HA -0.292 3.877 4.170 -0.000 0.000 0.243 207 I C 2.439 178.531 176.117 -0.042 0.000 1.085 207 I CA 1.781 63.066 61.300 -0.026 0.000 1.347 207 I CB -0.323 37.702 38.000 0.042 0.000 1.044 207 I HN 0.266 nan 8.210 nan 0.000 0.408 208 K N 0.676 121.054 120.400 -0.036 0.000 2.209 208 K HA -0.125 4.194 4.320 -0.000 0.000 0.204 208 K C 2.141 178.714 176.600 -0.044 0.000 1.048 208 K CA 1.357 57.618 56.287 -0.043 0.000 0.940 208 K CB -0.154 32.319 32.500 -0.046 0.000 0.729 208 K HN 0.366 nan 8.250 nan 0.000 0.451 209 A N 0.697 123.489 122.820 -0.045 0.000 1.935 209 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 209 A C 1.743 179.291 177.584 -0.061 0.000 1.178 209 A CA 0.883 52.893 52.037 -0.046 0.000 0.640 209 A CB 0.020 18.997 19.000 -0.039 0.000 0.825 209 A HN 0.223 nan 8.150 nan 0.000 0.447 210 Q N -1.430 118.320 119.800 -0.085 0.000 2.352 210 Q HA 0.078 4.418 4.340 -0.000 0.000 0.212 210 Q C -0.140 175.758 176.000 -0.170 0.000 0.888 210 Q CA 0.117 55.849 55.803 -0.118 0.000 0.934 210 Q CB 0.259 28.919 28.738 -0.131 0.000 1.093 210 Q HN 0.540 nan 8.270 nan 0.000 0.523 211 N N 0.978 119.580 118.700 -0.163 0.000 2.976 211 N HA 0.400 5.140 4.740 -0.000 0.000 0.255 211 N C -1.556 173.927 175.510 -0.046 0.000 1.312 211 N CA -0.139 52.820 53.050 -0.152 0.000 0.897 211 N CB 0.784 39.138 38.487 -0.221 0.000 1.184 211 N HN 0.135 nan 8.380 nan 0.000 0.497 212 A N 1.025 123.822 122.820 -0.038 0.000 2.552 212 A HA 0.655 4.975 4.320 -0.000 0.000 0.288 212 A C -1.486 176.094 177.584 -0.007 0.000 1.193 212 A CA -0.621 51.407 52.037 -0.016 0.000 0.713 212 A CB 1.544 20.529 19.000 -0.026 0.000 1.305 212 A HN 0.360 nan 8.150 nan 0.000 0.424 213 Q N 0.909 120.707 119.800 -0.003 0.000 2.327 213 Q HA 0.540 4.880 4.340 -0.000 0.000 0.270 213 Q C -1.820 174.177 176.000 -0.006 0.000 1.022 213 Q CA -0.320 55.482 55.803 -0.001 0.000 0.773 213 Q CB 1.690 30.431 28.738 0.006 0.000 1.251 213 Q HN 0.532 nan 8.270 nan 0.000 0.457 214 V N 2.852 122.761 119.914 -0.008 0.000 2.357 214 V HA 0.512 4.632 4.120 -0.000 0.000 0.284 214 V C 0.248 176.337 176.094 -0.007 0.000 1.018 214 V CA -0.901 61.393 62.300 -0.010 0.000 0.841 214 V CB 1.139 32.954 31.823 -0.013 0.000 0.991 214 V HN 0.841 nan 8.190 nan 0.000 0.437 215 A N 3.995 126.811 122.820 -0.007 0.000 2.511 215 A HA 0.697 5.017 4.320 -0.000 0.000 0.242 215 A C 0.868 178.448 177.584 -0.006 0.000 1.069 215 A CA 0.721 52.755 52.037 -0.006 0.000 0.763 215 A CB 0.590 19.587 19.000 -0.005 0.000 1.001 215 A HN 1.249 nan 8.150 nan 0.000 0.498 216 A N 2.114 124.930 122.820 -0.005 0.000 2.195 216 A HA 0.866 5.186 4.320 -0.000 0.000 0.212 216 A C 1.003 178.584 177.584 -0.005 0.000 2.368 216 A CA 1.020 53.053 52.037 -0.006 0.000 1.424 216 A CB -0.202 18.794 19.000 -0.005 0.000 1.095 216 A HN 2.292 nan 8.150 nan 0.000 0.516 217 G N -1.413 107.385 108.800 -0.004 0.000 2.485 217 G HA2 0.504 4.464 3.960 -0.000 0.000 0.182 217 G HA3 0.504 4.464 3.960 -0.000 0.000 0.182 217 G C -1.903 172.995 174.900 -0.003 0.000 1.172 217 G CA 0.231 45.329 45.100 -0.004 0.000 0.996 217 G HN 1.240 nan 8.290 nan 0.000 0.496 218 Q N -0.580 119.218 119.800 -0.003 0.000 2.426 218 Q HA 0.629 4.969 4.340 -0.000 0.000 0.278 218 Q C -1.373 174.626 176.000 -0.003 0.000 1.007 218 Q CA -0.979 54.822 55.803 -0.003 0.000 0.850 218 Q CB 1.950 30.686 28.738 -0.002 0.000 1.427 218 Q HN 0.542 nan 8.270 nan 0.000 0.391 219 L N 1.602 122.823 121.223 -0.002 0.000 2.416 219 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 219 L C 1.209 178.077 176.870 -0.002 0.000 1.161 219 L CA 0.807 55.645 54.840 -0.002 0.000 0.845 219 L CB 0.251 42.309 42.059 -0.002 0.000 1.119 219 L HN 1.107 nan 8.230 nan 0.000 0.464 220 G N 2.274 111.073 108.800 -0.002 0.000 2.249 220 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.273 220 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.273 220 G C 0.508 175.406 174.900 -0.002 0.000 1.036 220 G CA 0.008 45.107 45.100 -0.002 0.000 0.824 220 G HN 1.069 nan 8.290 nan 0.000 0.504 221 G N -0.105 108.694 108.800 -0.002 0.000 2.483 221 G HA2 0.609 4.569 3.960 -0.000 0.000 0.248 221 G HA3 0.609 4.569 3.960 -0.000 0.000 0.248 221 G C 0.712 175.611 174.900 -0.002 0.000 1.248 221 G CA 0.621 45.720 45.100 -0.002 0.000 0.838 221 G HN 1.351 nan 8.290 nan 0.000 0.566 222 T N 0.640 115.193 114.554 -0.002 0.000 2.901 222 T HA 0.440 4.790 4.350 -0.000 0.000 0.301 222 T C -1.803 172.895 174.700 -0.002 0.000 1.012 222 T CA -1.139 60.960 62.100 -0.002 0.000 1.135 222 T CB 1.138 70.005 68.868 -0.002 0.000 0.936 222 T HN 0.455 nan 8.240 nan 0.000 0.539 223 P HA 0.393 nan 4.420 nan 0.000 0.281 223 P C -2.584 174.715 177.300 -0.002 0.000 1.252 223 P CA -1.337 61.761 63.100 -0.002 0.000 0.778 223 P CB 0.224 31.922 31.700 -0.002 0.000 0.895 224 P HA 0.157 nan 4.420 nan 0.000 0.280 224 P C -0.321 176.978 177.300 -0.002 0.000 1.272 224 P CA -0.589 62.510 63.100 -0.002 0.000 0.819 224 P CB 0.681 32.380 31.700 -0.002 0.000 1.122 225 V N -2.022 117.890 119.914 -0.002 0.000 2.924 225 V HA 0.283 4.403 4.120 -0.000 0.000 0.305 225 V C 0.509 176.602 176.094 -0.002 0.000 1.073 225 V CA -0.710 61.589 62.300 -0.002 0.000 1.098 225 V CB -0.270 31.552 31.823 -0.002 0.000 1.000 225 V HN 0.427 nan 8.190 nan 0.000 0.484 226 K N 2.567 122.967 120.400 -0.002 0.000 2.412 226 K HA 0.439 4.759 4.320 -0.000 0.000 0.281 226 K C 0.933 177.533 176.600 -0.001 0.000 1.027 226 K CA 0.907 57.193 56.287 -0.001 0.000 0.989 226 K CB 0.199 32.698 32.500 -0.001 0.000 0.935 226 K HN 1.680 nan 8.250 nan 0.000 0.475 227 G N 2.852 111.652 108.800 -0.001 0.000 2.341 227 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.278 227 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.278 227 G C -0.453 174.447 174.900 -0.001 0.000 1.111 227 G CA 0.056 45.156 45.100 -0.001 0.000 0.982 227 G HN 0.555 nan 8.290 nan 0.000 0.502 228 Q N -0.242 119.557 119.800 -0.001 0.000 2.267 228 Q HA 0.571 4.911 4.340 -0.000 0.000 0.255 228 Q C 1.416 177.416 176.000 -0.001 0.000 0.923 228 Q CA 0.199 56.002 55.803 -0.001 0.000 0.925 228 Q CB 1.330 30.067 28.738 -0.002 0.000 1.195 228 Q HN 0.619 nan 8.270 nan 0.000 0.417 229 Q N 4.536 124.335 119.800 -0.001 0.000 1.990 229 Q HA 0.074 4.414 4.340 -0.000 0.000 0.200 229 Q C -0.484 175.515 176.000 -0.001 0.000 0.980 229 Q CA 1.480 57.282 55.803 -0.001 0.000 0.832 229 Q CB 0.141 28.878 28.738 -0.001 0.000 0.897 229 Q HN 0.646 nan 8.270 nan 0.000 0.427 230 L N 0.217 121.440 121.223 -0.001 0.000 2.434 230 L HA 0.521 4.861 4.340 -0.000 0.000 0.260 230 L C -1.899 174.970 176.870 -0.001 0.000 0.983 230 L CA -0.768 54.071 54.840 -0.001 0.000 0.820 230 L CB 2.291 44.350 42.059 -0.001 0.000 1.361 230 L HN 0.329 nan 8.230 nan 0.000 0.410 231 N N 3.210 121.910 118.700 -0.001 0.000 2.346 231 N HA 0.810 5.550 4.740 -0.000 0.000 0.289 231 N C -1.714 173.795 175.510 -0.001 0.000 1.027 231 N CA -0.158 52.891 53.050 -0.001 0.000 0.864 231 N CB 2.123 40.609 38.487 -0.002 0.000 1.370 231 N HN 0.838 nan 8.380 nan 0.000 0.481 232 A N 2.092 124.911 122.820 -0.001 0.000 2.589 232 A HA 0.455 4.775 4.320 -0.000 0.000 0.296 232 A C -0.826 176.757 177.584 -0.002 0.000 1.062 232 A CA -0.614 51.422 52.037 -0.001 0.000 0.686 232 A CB 1.311 20.310 19.000 -0.001 0.000 1.282 232 A HN 0.500 nan 8.150 nan 0.000 0.404 233 S N 1.096 116.796 115.700 -0.001 0.000 2.533 233 S HA 0.323 4.793 4.470 -0.000 0.000 0.282 233 S C 0.170 174.769 174.600 -0.002 0.000 1.304 233 S CA 0.030 58.229 58.200 -0.002 0.000 1.063 233 S CB -0.093 63.106 63.200 -0.001 0.000 0.881 233 S HN 0.445 nan 8.310 nan 0.000 0.493 234 I N 4.546 125.114 120.570 -0.002 0.000 2.337 234 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 234 I C -0.294 175.821 176.117 -0.003 0.000 1.046 234 I CA -0.295 61.004 61.300 -0.003 0.000 1.324 234 I CB 0.428 38.426 38.000 -0.003 0.000 1.409 234 I HN 0.380 nan 8.210 nan 0.000 0.494 235 I N 6.487 127.056 120.570 -0.003 0.000 2.312 235 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 235 I C 0.742 176.856 176.117 -0.004 0.000 1.008 235 I CA -0.073 61.226 61.300 -0.002 0.000 1.226 235 I CB 0.721 38.721 38.000 -0.001 0.000 1.371 235 I HN 0.569 nan 8.210 nan 0.000 0.468 236 A N 6.391 129.208 122.820 -0.005 0.000 3.179 236 A HA 0.333 4.653 4.320 -0.000 0.000 0.213 236 A C 0.377 177.956 177.584 -0.009 0.000 1.752 236 A CA -0.388 51.645 52.037 -0.008 0.000 0.857 236 A CB 0.116 19.111 19.000 -0.009 0.000 1.798 236 A HN 0.712 nan 8.150 nan 0.000 0.606 237 Q N -0.262 119.530 119.800 -0.013 0.000 2.304 237 Q HA 0.259 4.599 4.340 -0.000 0.000 0.301 237 Q C -0.908 175.086 176.000 -0.010 0.000 1.063 237 Q CA 0.734 56.528 55.803 -0.016 0.000 0.947 237 Q CB 0.213 28.937 28.738 -0.024 0.000 1.201 237 Q HN 0.659 nan 8.270 nan 0.000 0.389 238 T N 3.737 118.286 114.554 -0.008 0.000 2.916 238 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 238 T C -0.584 174.121 174.700 0.008 0.000 1.055 238 T CA -0.918 61.184 62.100 0.003 0.000 1.009 238 T CB 1.161 70.035 68.868 0.010 0.000 1.118 238 T HN 0.600 nan 8.240 nan 0.000 0.497 239 R N 0.892 121.410 120.500 0.030 0.000 2.619 239 R HA 0.127 4.467 4.340 -0.000 0.000 0.268 239 R C 0.132 176.480 176.300 0.081 0.000 0.990 239 R CA 0.011 56.149 56.100 0.063 0.000 1.092 239 R CB 0.018 30.386 30.300 0.114 0.000 0.935 239 R HN 0.457 nan 8.270 nan 0.000 0.415 240 L N 1.244 122.506 121.223 0.065 0.000 2.472 240 L HA 0.103 4.443 4.340 -0.000 0.000 0.260 240 L C 1.254 178.357 176.870 0.389 0.000 1.209 240 L CA 0.068 54.952 54.840 0.073 0.000 0.817 240 L CB 0.782 42.657 42.059 -0.307 0.000 1.106 240 L HN 0.750 nan 8.230 nan 0.000 0.479 241 T N -1.916 112.862 114.554 0.372 0.000 3.176 241 T HA 0.058 4.408 4.350 -0.000 0.000 0.259 241 T C 0.603 175.584 174.700 0.468 0.000 0.978 241 T CA -0.133 62.235 62.100 0.447 0.000 1.050 241 T CB 0.429 69.432 68.868 0.225 0.000 1.136 241 T HN 0.557 nan 8.240 nan 0.000 0.465 242 S N 1.644 117.527 115.700 0.305 0.000 2.614 242 S HA 0.238 4.708 4.470 -0.000 0.000 0.265 242 S C 1.526 176.264 174.600 0.229 0.000 1.303 242 S CA -0.198 58.137 58.200 0.226 0.000 1.000 242 S CB 1.295 64.582 63.200 0.145 0.000 0.935 242 S HN 0.410 nan 8.310 nan 0.000 0.551 243 T N -0.040 114.581 114.554 0.111 0.000 2.867 243 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 243 T C 1.570 176.333 174.700 0.105 0.000 1.057 243 T CA 1.733 63.858 62.100 0.043 0.000 1.136 243 T CB -0.346 68.517 68.868 -0.008 0.000 0.874 243 T HN 0.694 nan 8.240 nan 0.000 0.466 244 E N 0.258 120.516 120.200 0.097 0.000 2.077 244 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 244 E C 2.216 178.864 176.600 0.080 0.000 0.989 244 E CA 1.401 57.847 56.400 0.077 0.000 0.800 244 E CB -0.071 29.665 29.700 0.060 0.000 0.746 244 E HN 0.663 nan 8.360 nan 0.000 0.452 245 E N -0.405 119.852 120.200 0.095 0.000 2.085 245 E HA -0.199 4.150 4.350 -0.000 0.000 0.194 245 E C 1.924 178.513 176.600 -0.019 0.000 0.994 245 E CA 1.088 57.505 56.400 0.030 0.000 0.801 245 E CB -0.246 29.465 29.700 0.019 0.000 0.743 245 E HN 0.334 nan 8.360 nan 0.000 0.453 246 F N 0.712 120.632 119.950 -0.050 0.000 2.269 246 F HA -0.078 4.449 4.527 -0.000 0.000 0.301 246 F C 2.397 178.165 175.800 -0.053 0.000 1.082 246 F CA 1.187 59.142 58.000 -0.075 0.000 1.360 246 F CB -0.403 38.512 39.000 -0.141 0.000 1.041 246 F HN 0.062 nan 8.300 nan 0.000 0.512 247 G N -0.514 108.363 108.800 0.127 0.000 2.403 247 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 247 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 247 G C 1.706 176.618 174.900 0.021 0.000 1.154 247 G CA 0.336 45.477 45.100 0.067 0.000 0.784 247 G HN 0.241 nan 8.290 nan 0.000 0.538 248 K N 0.224 120.625 120.400 0.002 0.000 2.365 248 K HA 0.093 4.412 4.320 -0.000 0.000 0.199 248 K C 1.281 177.853 176.600 -0.046 0.000 1.045 248 K CA -0.159 56.114 56.287 -0.024 0.000 0.962 248 K CB -0.064 32.421 32.500 -0.026 0.000 0.759 248 K HN 0.425 nan 8.250 nan 0.000 0.469 249 I N 1.752 122.285 120.570 -0.062 0.000 2.683 249 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 249 I C -0.265 175.816 176.117 -0.060 0.000 1.175 249 I CA -0.011 61.240 61.300 -0.081 0.000 1.429 249 I CB 0.075 38.001 38.000 -0.123 0.000 1.371 249 I HN -0.118 nan 8.210 nan 0.000 0.569 250 L N 7.128 128.314 121.223 -0.062 0.000 2.395 250 L HA 0.269 4.609 4.340 -0.000 0.000 0.269 250 L C 0.320 177.158 176.870 -0.054 0.000 1.133 250 L CA 0.202 55.005 54.840 -0.062 0.000 0.812 250 L CB 1.074 43.098 42.059 -0.058 0.000 1.125 250 L HN 0.795 nan 8.230 nan 0.000 0.452 251 L N 2.495 123.680 121.223 -0.062 0.000 2.653 251 L HA 0.408 4.748 4.340 -0.000 0.000 0.230 251 L C 0.242 177.089 176.870 -0.038 0.000 1.055 251 L CA -0.097 54.717 54.840 -0.043 0.000 0.880 251 L CB 0.122 42.158 42.059 -0.038 0.000 1.195 251 L HN 0.607 nan 8.230 nan 0.000 0.492 252 K N 0.148 120.512 120.400 -0.061 0.000 2.636 252 K HA 0.337 4.657 4.320 -0.000 0.000 0.268 252 K C -1.845 174.716 176.600 -0.065 0.000 0.958 252 K CA -0.439 55.821 56.287 -0.046 0.000 0.875 252 K CB 2.322 34.809 32.500 -0.021 0.000 1.382 252 K HN -0.285 nan 8.250 nan 0.000 0.405 253 V N 3.753 123.642 119.914 -0.041 0.000 2.328 253 V HA 0.302 4.422 4.120 -0.000 0.000 0.278 253 V C 0.172 176.254 176.094 -0.021 0.000 1.021 253 V CA -1.101 61.175 62.300 -0.040 0.000 0.838 253 V CB 1.064 32.868 31.823 -0.031 0.000 0.999 253 V HN 0.666 nan 8.190 nan 0.000 0.447 254 N N 3.181 121.870 118.700 -0.019 0.000 2.381 254 N HA -0.008 4.732 4.740 -0.000 0.000 0.241 254 N C 1.405 176.919 175.510 0.008 0.000 1.279 254 N CA 0.027 53.083 53.050 0.009 0.000 0.896 254 N CB 0.825 39.328 38.487 0.027 0.000 1.118 254 N HN 0.877 nan 8.380 nan 0.000 0.438 255 Q N 0.438 120.247 119.800 0.015 0.000 2.308 255 Q HA -0.173 4.166 4.340 -0.000 0.000 0.209 255 Q C 0.493 176.497 176.000 0.008 0.000 0.985 255 Q CA 1.802 57.611 55.803 0.010 0.000 0.881 255 Q CB -0.184 28.562 28.738 0.013 0.000 0.917 255 Q HN 0.645 nan 8.270 nan 0.000 0.443 256 D N -1.202 119.204 120.400 0.010 0.000 2.358 256 D HA 0.143 4.783 4.640 -0.000 0.000 0.224 256 D C 0.983 177.284 176.300 0.002 0.000 1.123 256 D CA 0.376 54.380 54.000 0.007 0.000 0.833 256 D CB 0.052 40.860 40.800 0.012 0.000 0.946 256 D HN 0.449 nan 8.370 nan 0.000 0.505 257 G N 1.214 110.012 108.800 -0.003 0.000 2.245 257 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.264 257 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.264 257 G C 0.506 175.395 174.900 -0.017 0.000 0.985 257 G CA 0.616 45.711 45.100 -0.010 0.000 0.625 257 G HN 0.781 nan 8.290 nan 0.000 0.536 258 S N 1.013 116.704 115.700 -0.014 0.000 2.572 258 S HA 0.550 5.020 4.470 -0.000 0.000 0.279 258 S C 0.715 175.281 174.600 -0.057 0.000 1.341 258 S CA 0.310 58.494 58.200 -0.025 0.000 1.043 258 S CB 1.515 64.711 63.200 -0.007 0.000 0.887 258 S HN 1.126 nan 8.310 nan 0.000 0.516 259 R N 1.120 121.572 120.500 -0.081 0.000 2.486 259 R HA 0.561 4.901 4.340 -0.000 0.000 0.286 259 R C -1.596 174.572 176.300 -0.220 0.000 0.999 259 R CA -0.852 55.178 56.100 -0.117 0.000 0.993 259 R CB 0.381 30.629 30.300 -0.088 0.000 1.084 259 R HN 0.483 nan 8.270 nan 0.000 0.487 260 V N 5.034 124.792 119.914 -0.260 0.000 2.376 260 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 260 V C 0.140 176.090 176.094 -0.241 0.000 1.015 260 V CA -0.711 61.338 62.300 -0.418 0.000 0.834 260 V CB 1.194 32.683 31.823 -0.557 0.000 1.001 260 V HN 0.607 nan 8.190 nan 0.000 0.428 261 L N 3.550 124.654 121.223 -0.198 0.000 2.313 261 L HA 0.503 4.843 4.340 -0.000 0.000 0.268 261 L C 1.197 178.028 176.870 -0.065 0.000 1.010 261 L CA -0.784 53.994 54.840 -0.103 0.000 0.814 261 L CB 1.274 43.291 42.059 -0.070 0.000 1.304 261 L HN 0.460 nan 8.230 nan 0.000 0.441 262 L N 0.998 122.209 121.223 -0.020 0.000 2.042 262 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 262 L C 2.699 179.592 176.870 0.038 0.000 1.076 262 L CA 1.767 56.621 54.840 0.022 0.000 0.749 262 L CB -0.702 41.384 42.059 0.046 0.000 0.893 262 L HN 0.633 nan 8.230 nan 0.000 0.432 263 R N -0.399 120.118 120.500 0.029 0.000 2.134 263 R HA -0.242 4.098 4.340 -0.000 0.000 0.248 263 R C 1.788 178.116 176.300 0.046 0.000 1.143 263 R CA 2.269 58.392 56.100 0.039 0.000 0.957 263 R CB -0.499 29.814 30.300 0.022 0.000 0.867 263 R HN 0.502 nan 8.270 nan 0.000 0.441 264 D N -0.575 119.838 120.400 0.020 0.000 2.219 264 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 264 D C 1.698 178.081 176.300 0.137 0.000 0.970 264 D CA 1.427 55.458 54.000 0.052 0.000 0.851 264 D CB 0.126 40.884 40.800 -0.070 0.000 0.943 264 D HN 0.367 nan 8.370 nan 0.000 0.488 265 V N -3.096 116.887 119.914 0.114 0.000 3.643 265 V HA 0.636 4.756 4.120 -0.000 0.000 0.280 265 V C 0.523 176.684 176.094 0.111 0.000 1.351 265 V CA 0.171 62.557 62.300 0.143 0.000 1.073 265 V CB 0.010 31.926 31.823 0.154 0.000 0.863 265 V HN 0.074 nan 8.190 nan 0.000 0.436 266 A N -0.033 122.854 122.820 0.112 0.000 2.594 266 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 266 A C -0.978 176.693 177.584 0.146 0.000 1.071 266 A CA -0.885 51.235 52.037 0.139 0.000 0.685 266 A CB 1.580 20.661 19.000 0.134 0.000 1.285 266 A HN 0.152 nan 8.150 nan 0.000 0.405 267 K N 0.657 121.180 120.400 0.205 0.000 2.298 267 K HA 0.587 4.907 4.320 -0.000 0.000 0.280 267 K C -0.883 175.855 176.600 0.230 0.000 1.032 267 K CA 0.581 56.997 56.287 0.216 0.000 0.958 267 K CB 0.393 33.041 32.500 0.246 0.000 0.978 267 K HN 0.507 nan 8.250 nan 0.000 0.472 268 I N 3.436 124.096 120.570 0.149 0.000 2.447 268 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 268 I C -0.411 175.743 176.117 0.061 0.000 1.023 268 I CA -0.520 60.822 61.300 0.070 0.000 1.083 268 I CB 1.542 39.566 38.000 0.040 0.000 1.245 268 I HN 0.688 nan 8.210 nan 0.000 0.434 269 E N 5.834 126.056 120.200 0.035 0.000 2.401 269 E HA 0.434 4.784 4.350 -0.000 0.000 0.280 269 E C -1.857 174.717 176.600 -0.043 0.000 1.039 269 E CA -1.027 55.389 56.400 0.026 0.000 0.814 269 E CB 1.795 31.570 29.700 0.126 0.000 1.275 269 E HN 0.195 nan 8.360 nan 0.000 0.448 270 L N 1.567 122.722 121.223 -0.114 0.000 2.416 270 L HA 0.632 4.972 4.340 -0.000 0.000 0.272 270 L C 0.641 177.459 176.870 -0.087 0.000 1.161 270 L CA 1.424 56.142 54.840 -0.205 0.000 0.845 270 L CB 0.964 42.707 42.059 -0.526 0.000 1.119 270 L HN 0.798 nan 8.230 nan 0.000 0.464 271 G N 1.397 110.240 108.800 0.071 0.000 2.731 271 G HA2 0.547 4.507 3.960 -0.000 0.000 0.309 271 G HA3 0.547 4.507 3.960 -0.000 0.000 0.309 271 G C -0.682 174.337 174.900 0.197 0.000 1.273 271 G CA -0.242 45.005 45.100 0.245 0.000 0.798 271 G HN 0.771 nan 8.290 nan 0.000 0.509 272 G N -0.879 107.904 108.800 -0.029 0.000 2.442 272 G HA2 0.407 4.367 3.960 -0.000 0.000 0.249 272 G HA3 0.407 4.367 3.960 -0.000 0.000 0.249 272 G C 0.545 175.298 174.900 -0.245 0.000 1.263 272 G CA 0.260 45.162 45.100 -0.329 0.000 0.846 272 G HN 0.644 nan 8.290 nan 0.000 0.555 273 E N 0.722 120.818 120.200 -0.173 0.000 2.153 273 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 273 E C 0.953 177.340 176.600 -0.355 0.000 0.988 273 E CA 0.772 57.049 56.400 -0.205 0.000 0.811 273 E CB 0.141 29.808 29.700 -0.055 0.000 0.746 273 E HN 0.530 nan 8.360 nan 0.000 0.466 274 N N -2.128 116.407 118.700 -0.276 0.000 2.416 274 N HA 0.096 4.835 4.740 -0.000 0.000 0.276 274 N C -1.331 174.028 175.510 -0.252 0.000 1.261 274 N CA -0.400 52.546 53.050 -0.173 0.000 0.790 274 N CB 1.092 39.530 38.487 -0.082 0.000 1.554 274 N HN -0.079 nan 8.380 nan 0.000 0.481 275 Y N -0.018 120.286 120.300 0.007 0.000 2.707 275 Y HA 0.235 4.785 4.550 -0.000 0.000 0.249 275 Y C 0.861 176.776 175.900 0.026 0.000 1.166 275 Y CA -0.393 57.727 58.100 0.033 0.000 1.184 275 Y CB 0.691 39.190 38.460 0.065 0.000 1.240 275 Y HN 0.471 nan 8.280 nan 0.000 0.547 276 D N 1.112 121.584 120.400 0.119 0.000 2.144 276 D HA -0.043 4.597 4.640 -0.000 0.000 0.200 276 D C 0.385 176.721 176.300 0.061 0.000 0.978 276 D CA 1.366 55.419 54.000 0.089 0.000 0.833 276 D CB 0.144 40.989 40.800 0.075 0.000 0.961 276 D HN 0.364 nan 8.370 nan 0.000 0.470 277 I N -0.458 120.132 120.570 0.033 0.000 2.362 277 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 277 I C -0.307 175.801 176.117 -0.014 0.000 0.994 277 I CA -1.067 60.234 61.300 0.003 0.000 1.158 277 I CB 1.436 39.426 38.000 -0.016 0.000 1.315 277 I HN -0.206 nan 8.210 nan 0.000 0.451 278 I N 3.784 124.341 120.570 -0.022 0.000 2.306 278 I HA 0.845 5.015 4.170 -0.000 0.000 0.288 278 I C 0.237 176.292 176.117 -0.103 0.000 1.036 278 I CA -0.787 60.490 61.300 -0.038 0.000 1.221 278 I CB 1.221 39.214 38.000 -0.012 0.000 1.385 278 I HN 0.720 nan 8.210 nan 0.000 0.472 279 A N 5.437 128.176 122.820 -0.136 0.000 2.301 279 A HA 0.726 5.046 4.320 -0.000 0.000 0.312 279 A C -0.262 177.175 177.584 -0.245 0.000 1.182 279 A CA -0.374 51.494 52.037 -0.281 0.000 0.826 279 A CB 0.825 19.652 19.000 -0.289 0.000 1.134 279 A HN 0.831 nan 8.150 nan 0.000 0.501 280 E N 0.227 120.211 120.200 -0.361 0.000 2.356 280 E HA 0.434 4.784 4.350 -0.000 0.000 0.275 280 E C -2.029 174.513 176.600 -0.098 0.000 0.904 280 E CA -0.399 55.906 56.400 -0.158 0.000 0.757 280 E CB 2.440 32.084 29.700 -0.092 0.000 1.232 280 E HN 0.547 nan 8.360 nan 0.000 0.442 281 F N 2.899 122.839 119.950 -0.016 0.000 2.434 281 F HA 0.314 4.840 4.527 -0.000 0.000 0.355 281 F C -0.184 175.658 175.800 0.070 0.000 1.115 281 F CA -0.383 57.696 58.000 0.131 0.000 1.010 281 F CB 0.359 39.507 39.000 0.246 0.000 1.234 281 F HN 0.603 nan 8.300 nan 0.000 0.439 282 N N 4.370 122.909 118.700 -0.268 0.000 2.725 282 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 282 N C 0.926 176.428 175.510 -0.013 0.000 1.031 282 N CA 0.663 53.618 53.050 -0.159 0.000 0.720 282 N CB -0.939 37.441 38.487 -0.179 0.000 0.930 282 N HN 1.209 nan 8.380 nan 0.000 0.543 283 G N -1.112 107.687 108.800 -0.001 0.000 2.205 283 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.261 283 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.261 283 G C -0.036 174.887 174.900 0.039 0.000 0.980 283 G CA 0.667 45.780 45.100 0.021 0.000 0.632 283 G HN 0.528 nan 8.290 nan 0.000 0.533 284 Q N 1.437 121.283 119.800 0.075 0.000 2.230 284 Q HA 0.448 4.788 4.340 -0.000 0.000 0.253 284 Q C -2.309 173.737 176.000 0.077 0.000 0.919 284 Q CA -2.063 53.791 55.803 0.085 0.000 0.908 284 Q CB 1.764 30.577 28.738 0.124 0.000 1.245 284 Q HN 0.213 nan 8.270 nan 0.000 0.437 285 P HA 0.004 nan 4.420 nan 0.000 0.265 285 P C -1.398 175.933 177.300 0.051 0.000 1.193 285 P CA 0.342 63.463 63.100 0.034 0.000 0.765 285 P CB 0.603 32.321 31.700 0.029 0.000 0.823 286 A N 1.951 124.800 122.820 0.049 0.000 2.517 286 A HA 0.570 4.890 4.320 -0.000 0.000 0.297 286 A C -0.344 177.305 177.584 0.108 0.000 1.050 286 A CA -0.492 51.605 52.037 0.101 0.000 0.694 286 A CB 1.515 20.665 19.000 0.251 0.000 1.277 286 A HN 0.458 nan 8.150 nan 0.000 0.400 287 S N 0.491 116.252 115.700 0.103 0.000 2.767 287 S HA 0.948 5.418 4.470 -0.000 0.000 0.300 287 S C 0.273 174.984 174.600 0.185 0.000 1.123 287 S CA 0.234 58.508 58.200 0.123 0.000 0.992 287 S CB 1.652 64.875 63.200 0.038 0.000 1.138 287 S HN 2.188 nan 8.310 nan 0.000 0.550 288 G N -0.187 108.735 108.800 0.203 0.000 2.606 288 G HA2 0.590 4.550 3.960 -0.000 0.000 0.300 288 G HA3 0.590 4.550 3.960 -0.000 0.000 0.300 288 G C -2.264 172.609 174.900 -0.045 0.000 1.360 288 G CA -0.689 44.514 45.100 0.172 0.000 0.783 288 G HN 0.751 nan 8.290 nan 0.000 0.484 289 L N 0.230 121.349 121.223 -0.174 0.000 2.438 289 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 289 L C 0.273 176.854 176.870 -0.481 0.000 0.972 289 L CA -0.904 53.691 54.840 -0.409 0.000 0.831 289 L CB 2.539 44.484 42.059 -0.189 0.000 1.273 289 L HN 0.778 nan 8.230 nan 0.000 0.405 290 G N 3.718 112.026 108.800 -0.819 0.000 2.356 290 G HA2 0.628 4.588 3.960 -0.000 0.000 0.312 290 G HA3 0.628 4.588 3.960 -0.000 0.000 0.312 290 G C -0.744 174.233 174.900 0.128 0.000 1.096 290 G CA -0.220 44.749 45.100 -0.217 0.000 0.950 290 G HN 0.341 nan 8.290 nan 0.000 0.428 291 I N 1.801 122.507 120.570 0.227 0.000 2.377 291 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 291 I C 0.350 176.577 176.117 0.183 0.000 0.987 291 I CA -0.368 61.021 61.300 0.149 0.000 1.185 291 I CB 1.957 40.018 38.000 0.103 0.000 1.341 291 I HN 0.297 nan 8.210 nan 0.000 0.455 292 K N 5.167 125.596 120.400 0.048 0.000 2.156 292 K HA 0.530 4.850 4.320 -0.000 0.000 0.250 292 K C -0.980 175.628 176.600 0.015 0.000 0.955 292 K CA -0.963 55.317 56.287 -0.011 0.000 0.855 292 K CB 1.804 34.224 32.500 -0.132 0.000 1.101 292 K HN 0.408 nan 8.250 nan 0.000 0.434 293 L N 2.630 123.868 121.223 0.024 0.000 2.319 293 L HA 0.271 4.611 4.340 -0.000 0.000 0.280 293 L C -0.293 176.581 176.870 0.005 0.000 1.099 293 L CA 0.026 54.882 54.840 0.027 0.000 0.828 293 L CB 0.709 42.795 42.059 0.045 0.000 1.150 293 L HN 0.817 nan 8.230 nan 0.000 0.442 294 A N 3.844 126.665 122.820 0.002 0.000 2.511 294 A HA 0.142 4.462 4.320 -0.000 0.000 0.242 294 A C 0.638 178.219 177.584 -0.005 0.000 1.069 294 A CA 0.209 52.242 52.037 -0.007 0.000 0.763 294 A CB -0.076 18.920 19.000 -0.007 0.000 1.001 294 A HN 0.828 nan 8.150 nan 0.000 0.498 295 T N 1.463 116.010 114.554 -0.011 0.000 2.831 295 T HA 0.408 4.758 4.350 -0.000 0.000 0.291 295 T C 1.453 176.148 174.700 -0.007 0.000 0.981 295 T CA 1.485 63.578 62.100 -0.011 0.000 1.174 295 T CB -0.456 68.401 68.868 -0.018 0.000 0.929 295 T HN 2.378 nan 8.240 nan 0.000 0.532 296 G N 2.935 111.733 108.800 -0.003 0.000 2.213 296 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.236 296 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.236 296 G C 0.344 175.245 174.900 0.002 0.000 0.991 296 G CA -0.022 45.078 45.100 0.000 0.000 0.629 296 G HN 1.374 nan 8.290 nan 0.000 0.517 297 A N -0.153 122.668 122.820 0.002 0.000 2.257 297 A HA 0.675 4.995 4.320 -0.000 0.000 0.289 297 A C 0.395 177.982 177.584 0.004 0.000 1.095 297 A CA 0.045 52.083 52.037 0.001 0.000 0.836 297 A CB 0.469 19.469 19.000 0.001 0.000 1.111 297 A HN 0.480 nan 8.150 nan 0.000 0.497 298 N N 0.477 119.177 118.700 -0.000 0.000 2.422 298 N HA 0.302 5.041 4.740 -0.000 0.000 0.264 298 N C 0.902 176.415 175.510 0.005 0.000 1.063 298 N CA 0.436 53.485 53.050 -0.002 0.000 0.959 298 N CB 1.580 40.059 38.487 -0.012 0.000 1.087 298 N HN 0.582 nan 8.380 nan 0.000 0.483 299 A N 4.261 127.089 122.820 0.012 0.000 1.930 299 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 299 A C 1.881 179.473 177.584 0.014 0.000 1.175 299 A CA 1.035 53.086 52.037 0.024 0.000 0.627 299 A CB -0.159 18.864 19.000 0.038 0.000 0.815 299 A HN 0.630 nan 8.150 nan 0.000 0.443 300 L N 0.010 121.234 121.223 0.002 0.000 2.023 300 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 300 L C 1.973 178.836 176.870 -0.013 0.000 1.073 300 L CA 1.876 56.712 54.840 -0.008 0.000 0.745 300 L CB -0.781 41.269 42.059 -0.015 0.000 0.900 300 L HN 0.302 nan 8.230 nan 0.000 0.435 301 D N -1.015 119.377 120.400 -0.013 0.000 2.144 301 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 301 D C 1.981 178.275 176.300 -0.009 0.000 0.984 301 D CA 1.680 55.671 54.000 -0.014 0.000 0.834 301 D CB 0.041 40.831 40.800 -0.016 0.000 0.955 301 D HN 0.337 nan 8.370 nan 0.000 0.465 302 T N 0.738 115.291 114.554 -0.002 0.000 2.777 302 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 302 T C 2.083 176.786 174.700 0.005 0.000 1.040 302 T CA 1.289 63.392 62.100 0.005 0.000 1.141 302 T CB -0.188 68.688 68.868 0.014 0.000 0.868 302 T HN 0.168 nan 8.240 nan 0.000 0.444 303 A N 1.598 124.417 122.820 -0.001 0.000 1.902 303 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 303 A C 2.647 180.208 177.584 -0.038 0.000 1.181 303 A CA 1.860 53.886 52.037 -0.018 0.000 0.623 303 A CB -1.126 17.856 19.000 -0.030 0.000 0.818 303 A HN 0.508 nan 8.150 nan 0.000 0.443 304 A N -0.216 122.584 122.820 -0.034 0.000 1.898 304 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 304 A C 2.502 180.076 177.584 -0.017 0.000 1.181 304 A CA 2.013 54.030 52.037 -0.034 0.000 0.620 304 A CB -1.012 17.970 19.000 -0.029 0.000 0.819 304 A HN 1.075 nan 8.150 nan 0.000 0.442 305 A N -0.210 122.605 122.820 -0.008 0.000 1.972 305 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 305 A C 2.093 179.684 177.584 0.012 0.000 1.169 305 A CA 1.478 53.514 52.037 -0.001 0.000 0.635 305 A CB -0.578 18.420 19.000 -0.002 0.000 0.810 305 A HN 0.503 nan 8.150 nan 0.000 0.446 306 I N -0.976 119.607 120.570 0.021 0.000 2.252 306 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 306 I C 2.742 178.907 176.117 0.079 0.000 1.102 306 I CA 1.324 62.655 61.300 0.051 0.000 1.385 306 I CB -0.270 37.771 38.000 0.067 0.000 1.064 306 I HN 0.266 nan 8.210 nan 0.000 0.414 307 R N 0.609 121.142 120.500 0.054 0.000 2.092 307 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 307 R C 2.412 178.756 176.300 0.073 0.000 1.119 307 R CA 1.332 57.480 56.100 0.079 0.000 0.970 307 R CB -0.410 29.868 30.300 -0.036 0.000 0.864 307 R HN 0.351 nan 8.270 nan 0.000 0.440 308 A N 1.011 123.852 122.820 0.035 0.000 1.898 308 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 308 A C 2.033 179.632 177.584 0.025 0.000 1.181 308 A CA 1.445 53.496 52.037 0.025 0.000 0.620 308 A CB -0.267 18.737 19.000 0.007 0.000 0.819 308 A HN 0.210 nan 8.150 nan 0.000 0.442 309 E N -0.283 119.932 120.200 0.025 0.000 2.106 309 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 309 E C 1.635 178.257 176.600 0.037 0.000 0.984 309 E CA 0.874 57.283 56.400 0.014 0.000 0.806 309 E CB -0.323 29.383 29.700 0.011 0.000 0.750 309 E HN 0.332 nan 8.360 nan 0.000 0.458 310 L N 0.181 121.457 121.223 0.087 0.000 2.141 310 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 310 L C 2.226 179.180 176.870 0.140 0.000 1.094 310 L CA 1.713 56.641 54.840 0.146 0.000 0.763 310 L CB -1.214 40.960 42.059 0.193 0.000 0.908 310 L HN 0.242 nan 8.230 nan 0.000 0.437 311 A N -0.926 121.952 122.820 0.096 0.000 1.930 311 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 311 A C 2.312 179.908 177.584 0.021 0.000 1.175 311 A CA 1.397 53.477 52.037 0.072 0.000 0.627 311 A CB -0.346 18.687 19.000 0.055 0.000 0.815 311 A HN 0.377 nan 8.150 nan 0.000 0.443 312 K N -0.647 119.745 120.400 -0.014 0.000 2.097 312 K HA -0.085 4.234 4.320 -0.000 0.000 0.206 312 K C 1.715 178.227 176.600 -0.146 0.000 1.049 312 K CA 1.752 57.997 56.287 -0.070 0.000 0.933 312 K CB -0.287 32.155 32.500 -0.097 0.000 0.717 312 K HN 0.572 nan 8.250 nan 0.000 0.442 313 M N 0.068 119.555 119.600 -0.187 0.000 2.556 313 M HA 0.001 4.481 4.480 -0.000 0.000 0.245 313 M C 1.521 177.309 176.300 -0.853 0.000 1.128 313 M CA 0.596 55.635 55.300 -0.435 0.000 1.069 313 M CB 0.097 32.527 32.600 -0.284 0.000 1.469 313 M HN -0.028 nan 8.290 nan 0.000 0.494 314 E N 2.018 121.998 120.200 -0.366 0.000 2.049 314 E HA -0.164 4.185 4.350 -0.000 0.000 0.198 314 E C -0.606 175.893 176.600 -0.170 0.000 1.007 314 E CA 1.988 58.287 56.400 -0.167 0.000 0.809 314 E CB -1.040 28.706 29.700 0.076 0.000 0.749 314 E HN 0.333 nan 8.360 nan 0.000 0.450 315 P HA -0.100 nan 4.420 nan 0.000 0.225 315 P C 0.800 178.046 177.300 -0.091 0.000 1.156 315 P CA 0.977 64.056 63.100 -0.033 0.000 0.787 315 P CB -0.092 31.610 31.700 0.003 0.000 0.802 316 F N -1.208 118.545 119.950 -0.328 0.000 2.748 316 F HA 0.067 4.594 4.527 -0.000 0.000 0.299 316 F C 1.074 176.814 175.800 -0.099 0.000 1.154 316 F CA -0.034 57.830 58.000 -0.226 0.000 1.446 316 F CB -0.337 38.517 39.000 -0.243 0.000 1.112 316 F HN -0.261 nan 8.300 nan 0.000 0.584 317 F N 1.593 121.651 119.950 0.180 0.000 2.410 317 F HA 0.264 4.791 4.527 -0.000 0.000 0.334 317 F C -1.384 174.380 175.800 -0.061 0.000 1.134 317 F CA -3.655 54.364 58.000 0.032 0.000 1.227 317 F CB -0.807 38.171 39.000 -0.037 0.000 1.194 317 F HN -0.235 nan 8.300 nan 0.000 0.571 318 P HA 0.057 nan 4.420 nan 0.000 0.272 318 P C -0.639 176.652 177.300 -0.014 0.000 1.240 318 P CA -0.395 62.691 63.100 -0.023 0.000 0.791 318 P CB 0.457 32.088 31.700 -0.116 0.000 0.978 319 S N 0.182 115.877 115.700 -0.008 0.000 2.673 319 S HA 0.277 4.747 4.470 -0.000 0.000 0.308 319 S C 1.262 175.851 174.600 -0.019 0.000 1.246 319 S CA 1.185 59.383 58.200 -0.004 0.000 1.077 319 S CB -1.184 62.015 63.200 -0.001 0.000 0.814 319 S HN 0.948 nan 8.310 nan 0.000 0.503 320 G N 2.883 111.677 108.800 -0.010 0.000 2.324 320 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.292 320 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.292 320 G C -0.426 174.438 174.900 -0.060 0.000 1.079 320 G CA 0.029 45.115 45.100 -0.022 0.000 1.026 320 G HN 0.717 nan 8.290 nan 0.000 0.506 321 L N -0.368 120.804 121.223 -0.085 0.000 2.349 321 L HA 0.779 5.118 4.340 -0.000 0.000 0.278 321 L C -0.131 176.608 176.870 -0.218 0.000 0.996 321 L CA -0.871 53.853 54.840 -0.192 0.000 0.825 321 L CB 1.021 42.892 42.059 -0.313 0.000 1.243 321 L HN 0.136 nan 8.230 nan 0.000 0.412 322 K N 5.234 125.495 120.400 -0.231 0.000 2.324 322 K HA 0.523 4.843 4.320 -0.000 0.000 0.253 322 K C -1.287 175.130 176.600 -0.305 0.000 0.932 322 K CA -0.880 55.281 56.287 -0.209 0.000 0.799 322 K CB 2.694 35.113 32.500 -0.135 0.000 1.154 322 K HN 0.373 nan 8.250 nan 0.000 0.425 323 I N 2.167 122.564 120.570 -0.289 0.000 2.365 323 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 323 I C -0.354 175.484 176.117 -0.466 0.000 1.004 323 I CA -0.363 60.707 61.300 -0.384 0.000 1.311 323 I CB 1.561 39.376 38.000 -0.308 0.000 1.401 323 I HN 0.254 nan 8.210 nan 0.000 0.491 324 V N 7.488 127.023 119.914 -0.633 0.000 3.007 324 V HA 0.493 4.613 4.120 -0.000 0.000 0.311 324 V C -1.646 174.058 176.094 -0.650 0.000 1.120 324 V CA -0.554 61.393 62.300 -0.589 0.000 0.980 324 V CB 2.207 33.650 31.823 -0.633 0.000 1.033 324 V HN 0.515 nan 8.190 nan 0.000 0.429 325 Y N 5.437 125.680 120.300 -0.094 0.000 2.842 325 Y HA 0.451 5.001 4.550 -0.000 0.000 0.334 325 Y C -1.784 174.142 175.900 0.043 0.000 1.019 325 Y CA -1.915 56.165 58.100 -0.034 0.000 1.258 325 Y CB 1.120 39.572 38.460 -0.014 0.000 1.106 325 Y HN 0.524 nan 8.280 nan 0.000 0.545 326 P HA -0.153 nan 4.420 nan 0.000 0.218 326 P C -0.585 176.970 177.300 0.425 0.000 1.149 326 P CA 1.418 64.683 63.100 0.275 0.000 0.817 326 P CB 0.351 32.134 31.700 0.138 0.000 0.785 327 Y N -0.455 119.977 120.300 0.220 0.000 2.421 327 Y HA 0.581 5.131 4.550 -0.000 0.000 0.339 327 Y C -1.630 174.382 175.900 0.187 0.000 0.996 327 Y CA -1.343 56.905 58.100 0.247 0.000 1.046 327 Y CB 1.611 40.196 38.460 0.207 0.000 1.226 327 Y HN -0.325 nan 8.280 nan 0.000 0.445 328 D N 3.078 123.216 120.400 -0.437 0.000 2.738 328 D HA 0.121 4.760 4.640 -0.000 0.000 0.218 328 D C 0.094 176.138 176.300 -0.425 0.000 1.345 328 D CA -0.158 53.652 54.000 -0.317 0.000 0.943 328 D CB 2.340 43.069 40.800 -0.118 0.000 1.514 328 D HN 0.642 nan 8.370 nan 0.000 0.585 329 T N 1.577 115.934 114.554 -0.328 0.000 2.915 329 T HA -0.079 4.270 4.350 -0.000 0.000 0.269 329 T C 1.522 176.265 174.700 0.070 0.000 1.071 329 T CA 2.052 64.101 62.100 -0.085 0.000 1.132 329 T CB 0.190 69.122 68.868 0.106 0.000 0.878 329 T HN 0.445 nan 8.240 nan 0.000 0.479 330 T N 2.153 116.724 114.554 0.028 0.000 2.708 330 T HA -0.050 4.299 4.350 -0.000 0.000 0.266 330 T C -0.609 174.143 174.700 0.086 0.000 1.037 330 T CA 1.356 63.485 62.100 0.047 0.000 1.146 330 T CB -1.126 67.743 68.868 0.002 0.000 0.865 330 T HN 0.391 nan 8.240 nan 0.000 0.435 331 P HA -0.137 nan 4.420 nan 0.000 0.215 331 P C 1.259 178.745 177.300 0.310 0.000 1.163 331 P CA 1.064 64.284 63.100 0.201 0.000 0.894 331 P CB -0.180 31.649 31.700 0.215 0.000 0.791 332 F N -0.203 119.883 119.950 0.226 0.000 2.186 332 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 332 F C 1.921 177.760 175.800 0.064 0.000 1.090 332 F CA 1.156 59.257 58.000 0.167 0.000 1.307 332 F CB -0.610 38.504 39.000 0.189 0.000 1.019 332 F HN -0.303 nan 8.300 nan 0.000 0.489 333 V N 0.335 120.324 119.914 0.124 0.000 2.427 333 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 333 V C 2.361 178.419 176.094 -0.061 0.000 1.051 333 V CA 1.893 64.198 62.300 0.008 0.000 1.048 333 V CB -0.700 31.159 31.823 0.059 0.000 0.666 333 V HN 0.235 nan 8.190 nan 0.000 0.456 334 K N -0.295 120.094 120.400 -0.019 0.000 2.032 334 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 334 K C 2.062 178.635 176.600 -0.046 0.000 1.048 334 K CA 1.686 57.961 56.287 -0.021 0.000 0.927 334 K CB -0.348 32.156 32.500 0.006 0.000 0.712 334 K HN 0.301 nan 8.250 nan 0.000 0.441 335 I N 1.005 121.512 120.570 -0.105 0.000 2.179 335 I HA -0.291 3.878 4.170 -0.000 0.000 0.242 335 I C 2.268 178.253 176.117 -0.220 0.000 1.088 335 I CA 1.339 62.536 61.300 -0.171 0.000 1.357 335 I CB -0.375 37.425 38.000 -0.333 0.000 1.051 335 I HN 0.027 nan 8.210 nan 0.000 0.409 336 S N 0.305 115.798 115.700 -0.345 0.000 2.365 336 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 336 S C 2.074 176.564 174.600 -0.184 0.000 1.039 336 S CA 1.727 59.771 58.200 -0.261 0.000 1.033 336 S CB -0.492 62.566 63.200 -0.236 0.000 0.887 336 S HN 0.351 nan 8.310 nan 0.000 0.447 337 I N 0.209 120.704 120.570 -0.124 0.000 2.202 337 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 337 I C 2.426 178.503 176.117 -0.067 0.000 1.091 337 I CA 1.614 62.861 61.300 -0.088 0.000 1.368 337 I CB -0.384 37.588 38.000 -0.048 0.000 1.058 337 I HN 0.324 nan 8.210 nan 0.000 0.410 338 H N 1.090 120.092 119.070 -0.114 0.000 2.387 338 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 338 H C 1.997 177.264 175.328 -0.101 0.000 1.090 338 H CA 1.551 57.544 56.048 -0.090 0.000 1.332 338 H CB 0.178 29.897 29.762 -0.072 0.000 1.386 338 H HN 0.192 nan 8.280 nan 0.000 0.516 339 E N -0.228 119.876 120.200 -0.161 0.000 2.285 339 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 339 E C 2.362 178.821 176.600 -0.235 0.000 0.997 339 E CA 0.637 56.918 56.400 -0.198 0.000 0.845 339 E CB 0.113 29.741 29.700 -0.120 0.000 0.782 339 E HN 0.386 nan 8.360 nan 0.000 0.491 340 V N 0.750 120.495 119.914 -0.281 0.000 2.407 340 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 340 V C 2.454 178.423 176.094 -0.209 0.000 1.041 340 V CA 0.850 62.953 62.300 -0.328 0.000 1.040 340 V CB -0.196 31.358 31.823 -0.450 0.000 0.671 340 V HN 0.044 nan 8.190 nan 0.000 0.455 341 V N 0.245 120.049 119.914 -0.182 0.000 2.295 341 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 341 V C 2.411 178.408 176.094 -0.162 0.000 1.049 341 V CA 2.380 64.599 62.300 -0.135 0.000 1.024 341 V CB -0.719 31.038 31.823 -0.110 0.000 0.648 341 V HN 0.547 nan 8.190 nan 0.000 0.447 342 K N -0.126 120.116 120.400 -0.263 0.000 2.113 342 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 342 K C 2.138 178.661 176.600 -0.127 0.000 1.047 342 K CA 2.097 58.246 56.287 -0.230 0.000 0.928 342 K CB -0.279 32.030 32.500 -0.318 0.000 0.716 342 K HN 0.563 nan 8.250 nan 0.000 0.446 343 T N 1.720 116.201 114.554 -0.121 0.000 2.701 343 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 343 T C 1.850 176.529 174.700 -0.036 0.000 1.040 343 T CA 1.335 63.395 62.100 -0.066 0.000 1.147 343 T CB -0.172 68.653 68.868 -0.071 0.000 0.865 343 T HN 0.150 nan 8.240 nan 0.000 0.426 344 L N 0.731 121.923 121.223 -0.050 0.000 2.046 344 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 344 L C 2.716 179.578 176.870 -0.012 0.000 1.077 344 L CA 0.915 55.741 54.840 -0.023 0.000 0.747 344 L CB -0.689 41.351 42.059 -0.032 0.000 0.896 344 L HN 0.140 nan 8.230 nan 0.000 0.432 345 V N -0.216 119.681 119.914 -0.028 0.000 2.295 345 V HA -0.285 3.834 4.120 -0.000 0.000 0.246 345 V C 2.326 178.416 176.094 -0.007 0.000 1.049 345 V CA 1.867 64.155 62.300 -0.020 0.000 1.024 345 V CB -0.457 31.344 31.823 -0.037 0.000 0.648 345 V HN 0.448 nan 8.190 nan 0.000 0.447 346 E N -0.103 120.090 120.200 -0.012 0.000 2.204 346 E HA -0.144 4.205 4.350 -0.000 0.000 0.194 346 E C 2.290 178.912 176.600 0.036 0.000 0.989 346 E CA 1.055 57.460 56.400 0.008 0.000 0.824 346 E CB -0.279 29.421 29.700 -0.001 0.000 0.756 346 E HN 0.615 nan 8.360 nan 0.000 0.477 347 A N 1.323 124.167 122.820 0.041 0.000 1.851 347 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 347 A C 2.164 179.792 177.584 0.073 0.000 1.195 347 A CA 1.347 53.427 52.037 0.071 0.000 0.622 347 A CB -0.684 18.364 19.000 0.079 0.000 0.831 347 A HN 0.166 nan 8.150 nan 0.000 0.444 348 I N -0.342 120.261 120.570 0.055 0.000 2.286 348 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 348 I C 2.255 178.435 176.117 0.105 0.000 1.115 348 I CA 1.141 62.481 61.300 0.067 0.000 1.392 348 I CB -0.390 37.637 38.000 0.046 0.000 1.065 348 I HN 0.300 nan 8.210 nan 0.000 0.418 349 I N 0.525 121.142 120.570 0.077 0.000 2.226 349 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 349 I C 2.405 178.617 176.117 0.160 0.000 1.100 349 I CA 1.541 62.892 61.300 0.085 0.000 1.374 349 I CB -0.202 37.810 38.000 0.021 0.000 1.057 349 I HN 0.212 nan 8.210 nan 0.000 0.413 350 L N -0.269 121.030 121.223 0.127 0.000 2.291 350 L HA -0.138 4.201 4.340 -0.000 0.000 0.214 350 L C 2.365 179.323 176.870 0.147 0.000 1.120 350 L CA 0.595 55.517 54.840 0.137 0.000 0.799 350 L CB -0.274 41.850 42.059 0.108 0.000 0.925 350 L HN 0.058 nan 8.230 nan 0.000 0.446 351 V N -0.902 119.095 119.914 0.137 0.000 2.453 351 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 351 V C 2.145 178.323 176.094 0.139 0.000 1.048 351 V CA 1.634 63.997 62.300 0.105 0.000 1.049 351 V CB -0.556 31.309 31.823 0.071 0.000 0.672 351 V HN 0.365 nan 8.190 nan 0.000 0.457 352 F N 0.404 120.389 119.950 0.057 0.000 2.134 352 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 352 F C 2.030 177.915 175.800 0.142 0.000 1.097 352 F CA 1.765 59.815 58.000 0.083 0.000 1.264 352 F CB -0.037 39.004 39.000 0.069 0.000 1.001 352 F HN 0.021 nan 8.300 nan 0.000 0.479 353 L N -0.822 120.624 121.223 0.371 0.000 2.044 353 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 353 L C 2.284 179.290 176.870 0.227 0.000 1.075 353 L CA 0.839 55.870 54.840 0.317 0.000 0.747 353 L CB -0.961 41.268 42.059 0.283 0.000 0.903 353 L HN -0.057 nan 8.230 nan 0.000 0.435 354 V N -0.365 119.650 119.914 0.169 0.000 2.913 354 V HA -0.253 3.867 4.120 -0.000 0.000 0.260 354 V C 2.248 178.384 176.094 0.070 0.000 1.098 354 V CA 1.418 63.801 62.300 0.138 0.000 1.121 354 V CB -0.265 31.608 31.823 0.085 0.000 0.714 354 V HN 0.384 nan 8.190 nan 0.000 0.487 355 M N -1.127 118.492 119.600 0.030 0.000 2.191 355 M HA -0.040 4.439 4.480 -0.000 0.000 0.262 355 M C 2.035 178.342 176.300 0.012 0.000 1.083 355 M CA 1.726 57.005 55.300 -0.035 0.000 1.154 355 M CB -0.410 32.134 32.600 -0.093 0.000 1.344 355 M HN 0.351 nan 8.290 nan 0.000 0.431 356 Y N 0.701 120.925 120.300 -0.126 0.000 2.089 356 Y HA -0.067 4.483 4.550 -0.000 0.000 0.282 356 Y C 0.759 176.704 175.900 0.075 0.000 1.139 356 Y CA 1.663 59.714 58.100 -0.083 0.000 1.123 356 Y CB -0.321 38.049 38.460 -0.151 0.000 0.980 356 Y HN 0.119 nan 8.280 nan 0.000 0.493 357 L N 0.762 122.139 121.223 0.257 0.000 2.858 357 L HA -0.016 4.324 4.340 -0.000 0.000 0.243 357 L C -0.104 176.842 176.870 0.127 0.000 1.416 357 L CA 0.704 55.668 54.840 0.206 0.000 1.182 357 L CB -0.719 41.516 42.059 0.293 0.000 1.564 357 L HN 0.440 nan 8.230 nan 0.000 0.436 358 F N -2.065 117.798 119.950 -0.145 0.000 2.114 358 F HA 0.066 4.593 4.527 -0.000 0.000 0.395 358 F C 1.159 176.813 175.800 -0.244 0.000 0.875 358 F CA -0.034 57.810 58.000 -0.259 0.000 0.973 358 F CB 0.387 39.252 39.000 -0.225 0.000 1.227 358 F HN -0.146 nan 8.300 nan 0.000 0.558 359 L N 1.295 122.536 121.223 0.030 0.000 2.701 359 L HA 0.133 4.473 4.340 -0.000 0.000 0.238 359 L C 0.296 177.069 176.870 -0.162 0.000 1.106 359 L CA 0.497 55.305 54.840 -0.053 0.000 0.898 359 L CB 0.098 42.129 42.059 -0.047 0.000 1.188 359 L HN 0.195 nan 8.230 nan 0.000 0.508 360 Q N 1.018 120.614 119.800 -0.339 0.000 2.417 360 Q HA -0.292 4.048 4.340 -0.000 0.000 0.350 360 Q C -0.601 175.189 176.000 -0.350 0.000 1.364 360 Q CA 0.833 56.253 55.803 -0.638 0.000 1.024 360 Q CB -2.340 26.148 28.738 -0.417 0.000 1.235 360 Q HN 0.651 nan 8.270 nan 0.000 0.388 361 N N -0.207 118.385 118.700 -0.181 0.000 2.503 361 N HA 0.204 4.944 4.740 -0.000 0.000 0.287 361 N C -0.583 175.047 175.510 0.198 0.000 1.096 361 N CA -0.510 52.569 53.050 0.048 0.000 0.936 361 N CB 0.860 39.344 38.487 -0.005 0.000 1.570 361 N HN 0.150 nan 8.380 nan 0.000 0.504 362 F N 5.369 125.415 119.950 0.159 0.000 2.186 362 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 362 F C 2.425 178.283 175.800 0.096 0.000 1.090 362 F CA 1.579 59.673 58.000 0.157 0.000 1.307 362 F CB 0.203 39.297 39.000 0.157 0.000 1.019 362 F HN 0.614 nan 8.300 nan 0.000 0.489 363 R N 0.252 120.709 120.500 -0.072 0.000 2.153 363 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 363 R C 2.122 178.343 176.300 -0.132 0.000 1.072 363 R CA 0.999 56.998 56.100 -0.167 0.000 0.990 363 R CB -1.068 29.221 30.300 -0.020 0.000 0.889 363 R HN 0.255 nan 8.270 nan 0.000 0.452 364 A N 1.203 123.971 122.820 -0.086 0.000 1.929 364 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 364 A C 2.250 179.764 177.584 -0.117 0.000 1.176 364 A CA 1.750 53.738 52.037 -0.082 0.000 0.628 364 A CB -0.712 18.251 19.000 -0.061 0.000 0.816 364 A HN 0.403 nan 8.150 nan 0.000 0.444 365 T N -0.754 113.695 114.554 -0.175 0.000 3.023 365 T HA 0.074 4.423 4.350 -0.000 0.000 0.266 365 T C 1.529 176.137 174.700 -0.154 0.000 1.093 365 T CA 0.908 62.855 62.100 -0.255 0.000 1.129 365 T CB -0.454 68.072 68.868 -0.569 0.000 0.899 365 T HN 0.357 nan 8.240 nan 0.000 0.491 366 L N 0.304 121.432 121.223 -0.159 0.000 2.478 366 L HA 0.170 4.510 4.340 -0.000 0.000 0.223 366 L C 2.163 179.020 176.870 -0.023 0.000 1.140 366 L CA 0.387 55.187 54.840 -0.068 0.000 0.842 366 L CB -0.346 41.597 42.059 -0.193 0.000 0.953 366 L HN 0.324 nan 8.230 nan 0.000 0.452 367 I N 0.428 120.969 120.570 -0.048 0.000 2.113 367 I HA -0.182 3.988 4.170 -0.000 0.000 0.238 367 I C -0.275 175.820 176.117 -0.036 0.000 1.070 367 I CA 1.382 62.655 61.300 -0.045 0.000 1.332 367 I CB -1.493 36.469 38.000 -0.063 0.000 1.044 367 I HN 0.197 nan 8.210 nan 0.000 0.402 368 P HA -0.103 nan 4.420 nan 0.000 0.218 368 P C 1.523 178.832 177.300 0.015 0.000 1.149 368 P CA 1.433 64.522 63.100 -0.017 0.000 0.817 368 P CB -0.214 31.477 31.700 -0.014 0.000 0.785 369 T N -0.817 113.771 114.554 0.056 0.000 2.897 369 T HA -0.090 4.260 4.350 -0.000 0.000 0.271 369 T C 1.588 176.321 174.700 0.054 0.000 1.084 369 T CA 1.120 63.269 62.100 0.082 0.000 1.123 369 T CB -0.684 68.272 68.868 0.147 0.000 0.865 369 T HN 0.155 nan 8.240 nan 0.000 0.496 370 I N 0.258 120.851 120.570 0.038 0.000 3.172 370 I HA 0.189 4.359 4.170 -0.000 0.000 0.278 370 I C 2.769 178.881 176.117 -0.007 0.000 1.174 370 I CA 0.358 61.683 61.300 0.041 0.000 1.445 370 I CB -0.349 37.697 38.000 0.076 0.000 1.175 370 I HN 0.101 nan 8.210 nan 0.000 0.447 371 A N 1.488 124.283 122.820 -0.040 0.000 1.851 371 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 371 A C 2.443 179.993 177.584 -0.057 0.000 1.195 371 A CA 2.533 54.527 52.037 -0.072 0.000 0.622 371 A CB -1.142 17.809 19.000 -0.081 0.000 0.831 371 A HN 0.290 nan 8.150 nan 0.000 0.444 372 V N -2.744 117.146 119.914 -0.041 0.000 2.358 372 V HA -0.088 4.031 4.120 -0.000 0.000 0.246 372 V C -0.283 175.790 176.094 -0.035 0.000 1.047 372 V CA 1.789 64.063 62.300 -0.044 0.000 1.035 372 V CB -2.321 29.479 31.823 -0.038 0.000 0.658 372 V HN 0.350 nan 8.190 nan 0.000 0.452 373 P HA -0.058 nan 4.420 nan 0.000 0.219 373 P C 2.025 179.330 177.300 0.008 0.000 1.146 373 P CA 1.254 64.359 63.100 0.008 0.000 0.808 373 P CB -0.163 31.554 31.700 0.029 0.000 0.779 374 V N -0.556 119.355 119.914 -0.004 0.000 2.307 374 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 374 V C 2.421 178.492 176.094 -0.038 0.000 1.045 374 V CA 1.737 64.030 62.300 -0.011 0.000 1.024 374 V CB -1.093 30.711 31.823 -0.031 0.000 0.651 374 V HN -0.024 nan 8.190 nan 0.000 0.449 375 V N -0.169 119.707 119.914 -0.063 0.000 2.295 375 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 375 V C 2.308 178.328 176.094 -0.123 0.000 1.049 375 V CA 1.955 64.201 62.300 -0.090 0.000 1.024 375 V CB -0.616 31.151 31.823 -0.094 0.000 0.648 375 V HN 0.428 nan 8.190 nan 0.000 0.447 376 L N -0.857 120.292 121.223 -0.123 0.000 2.046 376 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 376 L C 2.473 179.215 176.870 -0.215 0.000 1.077 376 L CA 1.498 56.212 54.840 -0.210 0.000 0.747 376 L CB -0.546 41.434 42.059 -0.132 0.000 0.896 376 L HN 0.303 nan 8.230 nan 0.000 0.432 377 L N -0.359 120.863 121.223 -0.001 0.000 2.017 377 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 377 L C 2.602 179.524 176.870 0.088 0.000 1.073 377 L CA 1.494 56.426 54.840 0.155 0.000 0.745 377 L CB -0.908 41.221 42.059 0.117 0.000 0.894 377 L HN 0.309 nan 8.230 nan 0.000 0.432 378 G N -1.515 107.277 108.800 -0.013 0.000 2.443 378 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 378 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 378 G C 1.521 176.367 174.900 -0.089 0.000 1.131 378 G CA 1.085 46.162 45.100 -0.038 0.000 0.775 378 G HN 0.300 nan 8.290 nan 0.000 0.547 379 T N 0.993 115.439 114.554 -0.179 0.000 2.821 379 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 379 T C 2.009 176.575 174.700 -0.222 0.000 1.046 379 T CA 0.791 62.740 62.100 -0.252 0.000 1.139 379 T CB -0.357 68.296 68.868 -0.359 0.000 0.871 379 T HN 0.331 nan 8.240 nan 0.000 0.454 380 F N 1.806 121.716 119.950 -0.068 0.000 2.126 380 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 380 F C 2.806 178.560 175.800 -0.077 0.000 1.096 380 F CA 0.769 58.733 58.000 -0.060 0.000 1.255 380 F CB -0.559 38.416 39.000 -0.042 0.000 0.997 380 F HN 0.136 nan 8.300 nan 0.000 0.479 381 A N 0.175 123.051 122.820 0.094 0.000 1.873 381 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 381 A C 2.278 179.795 177.584 -0.112 0.000 1.193 381 A CA 2.220 54.254 52.037 -0.005 0.000 0.629 381 A CB -1.281 17.706 19.000 -0.023 0.000 0.826 381 A HN 0.183 nan 8.150 nan 0.000 0.447 382 V N 0.158 119.967 119.914 -0.175 0.000 2.407 382 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 382 V C 2.530 178.391 176.094 -0.388 0.000 1.055 382 V CA 1.712 63.796 62.300 -0.360 0.000 1.049 382 V CB -0.842 30.806 31.823 -0.291 0.000 0.662 382 V HN 0.539 nan 8.190 nan 0.000 0.455 383 L N 0.256 121.372 121.223 -0.180 0.000 1.970 383 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 383 L C 2.839 179.737 176.870 0.047 0.000 1.071 383 L CA 1.888 56.685 54.840 -0.071 0.000 0.751 383 L CB -0.936 41.155 42.059 0.054 0.000 0.889 383 L HN 0.378 nan 8.230 nan 0.000 0.432 384 A N -0.003 122.838 122.820 0.035 0.000 1.917 384 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 384 A C 2.496 180.080 177.584 -0.000 0.000 1.182 384 A CA 2.015 54.078 52.037 0.042 0.000 0.633 384 A CB -0.773 18.240 19.000 0.022 0.000 0.819 384 A HN 0.475 nan 8.150 nan 0.000 0.448 385 A N -1.252 121.482 122.820 -0.143 0.000 1.940 385 A HA -0.015 4.304 4.320 -0.000 0.000 0.219 385 A C 1.646 179.186 177.584 -0.072 0.000 1.176 385 A CA 1.267 53.164 52.037 -0.234 0.000 0.631 385 A CB -0.643 18.034 19.000 -0.539 0.000 0.814 385 A HN 0.580 nan 8.150 nan 0.000 0.446 386 F N -0.725 119.286 119.950 0.102 0.000 2.668 386 F HA 0.372 4.899 4.527 -0.000 0.000 0.297 386 F C 1.686 177.687 175.800 0.335 0.000 1.124 386 F CA 0.158 58.267 58.000 0.182 0.000 1.353 386 F CB 0.222 39.297 39.000 0.126 0.000 0.992 386 F HN 0.373 nan 8.300 nan 0.000 0.524 387 G N 0.594 109.612 108.800 0.363 0.000 2.155 387 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 387 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 387 G C 0.203 175.240 174.900 0.227 0.000 0.983 387 G CA -0.269 44.973 45.100 0.237 0.000 0.676 387 G HN 0.347 nan 8.290 nan 0.000 0.528 388 F N 1.317 121.322 119.950 0.092 0.000 2.435 388 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 388 F C 1.346 177.180 175.800 0.056 0.000 1.220 388 F CA 0.417 58.462 58.000 0.075 0.000 1.241 388 F CB 1.071 40.123 39.000 0.087 0.000 1.234 388 F HN 0.303 nan 8.300 nan 0.000 0.569 389 S N 0.588 116.402 115.700 0.191 0.000 2.677 389 S HA 0.620 5.089 4.470 -0.000 0.000 0.304 389 S C -0.800 173.883 174.600 0.139 0.000 1.108 389 S CA -0.951 57.321 58.200 0.121 0.000 0.944 389 S CB 1.365 64.596 63.200 0.051 0.000 1.127 389 S HN 0.444 nan 8.310 nan 0.000 0.511 390 I N 3.359 123.984 120.570 0.092 0.000 2.347 390 I HA 0.270 4.440 4.170 -0.000 0.000 0.294 390 I C -0.189 175.955 176.117 0.045 0.000 1.090 390 I CA -0.032 61.318 61.300 0.084 0.000 1.314 390 I CB -0.562 37.456 38.000 0.030 0.000 1.423 390 I HN 0.810 nan 8.210 nan 0.000 0.503 391 N N 1.699 120.426 118.700 0.046 0.000 2.732 391 N HA 0.324 5.063 4.740 -0.000 0.000 0.259 391 N C 0.373 175.888 175.510 0.007 0.000 1.402 391 N CA -0.858 52.193 53.050 0.003 0.000 0.829 391 N CB 0.672 39.162 38.487 0.006 0.000 1.495 391 N HN 0.168 nan 8.380 nan 0.000 0.511 392 T N 0.187 114.715 114.554 -0.043 0.000 2.649 392 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 392 T C 1.506 176.384 174.700 0.298 0.000 1.036 392 T CA 1.877 64.051 62.100 0.123 0.000 1.157 392 T CB -0.550 68.300 68.868 -0.030 0.000 0.861 392 T HN 0.431 nan 8.240 nan 0.000 0.445 393 L N 1.006 122.310 121.223 0.136 0.000 2.027 393 L HA -0.091 4.248 4.340 -0.000 0.000 0.206 393 L C 3.109 179.790 176.870 -0.314 0.000 1.074 393 L CA 1.740 56.493 54.840 -0.144 0.000 0.745 393 L CB -1.341 40.556 42.059 -0.270 0.000 0.898 393 L HN 0.459 nan 8.230 nan 0.000 0.433 394 T N -3.590 110.903 114.554 -0.102 0.000 2.951 394 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 394 T C 1.880 176.586 174.700 0.011 0.000 1.073 394 T CA 0.557 62.636 62.100 -0.036 0.000 1.134 394 T CB -0.035 68.883 68.868 0.085 0.000 0.884 394 T HN 0.002 nan 8.240 nan 0.000 0.479 395 M N 0.905 120.524 119.600 0.031 0.000 2.098 395 M HA 0.264 4.744 4.480 -0.000 0.000 0.262 395 M C 1.859 178.109 176.300 -0.083 0.000 1.072 395 M CA 0.928 56.200 55.300 -0.047 0.000 1.133 395 M CB -1.513 31.005 32.600 -0.137 0.000 1.344 395 M HN 0.278 nan 8.290 nan 0.000 0.414 396 F N 0.082 120.112 119.950 0.133 0.000 2.699 396 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 396 F C 2.289 178.297 175.800 0.347 0.000 1.154 396 F CA 0.657 58.803 58.000 0.242 0.000 1.457 396 F CB -0.793 38.424 39.000 0.362 0.000 1.106 396 F HN 0.237 nan 8.300 nan 0.000 0.585 397 G N -0.320 108.691 108.800 0.352 0.000 2.421 397 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 397 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 397 G C 1.623 176.610 174.900 0.145 0.000 1.143 397 G CA 0.433 45.716 45.100 0.305 0.000 0.784 397 G HN 0.248 nan 8.290 nan 0.000 0.541 398 M N -0.119 119.512 119.600 0.052 0.000 2.325 398 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 398 M C 2.595 178.903 176.300 0.014 0.000 1.094 398 M CA 0.545 55.827 55.300 -0.030 0.000 1.161 398 M CB -0.126 32.404 32.600 -0.117 0.000 1.358 398 M HN 0.038 nan 8.290 nan 0.000 0.446 399 V N 0.912 120.848 119.914 0.037 0.000 2.490 399 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 399 V C 2.152 178.358 176.094 0.187 0.000 1.061 399 V CA 1.214 63.562 62.300 0.080 0.000 1.064 399 V CB -0.530 31.306 31.823 0.021 0.000 0.670 399 V HN 0.360 nan 8.190 nan 0.000 0.461 400 L N -0.098 121.261 121.223 0.227 0.000 2.622 400 L HA 0.169 4.509 4.340 -0.000 0.000 0.233 400 L C 1.747 178.724 176.870 0.178 0.000 1.156 400 L CA 1.551 56.541 54.840 0.251 0.000 0.866 400 L CB -0.617 41.624 42.059 0.303 0.000 0.980 400 L HN 0.280 nan 8.230 nan 0.000 0.448 401 A N -2.082 120.798 122.820 0.101 0.000 2.551 401 A HA 0.265 4.584 4.320 -0.000 0.000 0.252 401 A C 1.830 179.375 177.584 -0.066 0.000 1.199 401 A CA -0.095 51.937 52.037 -0.009 0.000 0.972 401 A CB -0.135 18.822 19.000 -0.073 0.000 1.153 401 A HN 0.292 nan 8.150 nan 0.000 0.559 402 I N 0.020 120.579 120.570 -0.019 0.000 2.335 402 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 402 I C 2.489 178.435 176.117 -0.286 0.000 1.129 402 I CA 1.339 62.593 61.300 -0.077 0.000 1.402 402 I CB -0.679 37.348 38.000 0.044 0.000 1.069 402 I HN 0.251 nan 8.210 nan 0.000 0.424 403 G N 1.643 110.023 108.800 -0.699 0.000 2.469 403 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 403 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 403 G C 1.591 176.164 174.900 -0.546 0.000 1.136 403 G CA 0.782 45.118 45.100 -1.272 0.000 0.759 403 G HN 0.222 nan 8.290 nan 0.000 0.562 404 L N 0.063 121.097 121.223 -0.315 0.000 2.131 404 L HA 0.212 4.552 4.340 -0.000 0.000 0.206 404 L C 2.831 179.622 176.870 -0.132 0.000 1.087 404 L CA 0.909 55.655 54.840 -0.156 0.000 0.767 404 L CB -0.374 41.650 42.059 -0.059 0.000 0.917 404 L HN 0.199 nan 8.230 nan 0.000 0.441 405 L N -2.486 118.654 121.223 -0.137 0.000 2.072 405 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 405 L C 2.417 179.221 176.870 -0.109 0.000 1.079 405 L CA 0.437 55.212 54.840 -0.109 0.000 0.752 405 L CB -0.905 41.093 42.059 -0.101 0.000 0.906 405 L HN -0.018 nan 8.230 nan 0.000 0.436 406 V N 0.622 120.458 119.914 -0.130 0.000 2.287 406 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 406 V C 2.242 178.267 176.094 -0.116 0.000 1.053 406 V CA 2.346 64.579 62.300 -0.111 0.000 1.027 406 V CB -0.510 31.244 31.823 -0.114 0.000 0.646 406 V HN 0.475 nan 8.190 nan 0.000 0.447 407 D N -0.249 120.065 120.400 -0.143 0.000 2.123 407 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 407 D C 1.857 178.098 176.300 -0.099 0.000 0.992 407 D CA 1.332 55.257 54.000 -0.124 0.000 0.833 407 D CB -0.129 40.594 40.800 -0.129 0.000 0.954 407 D HN 0.401 nan 8.370 nan 0.000 0.455 408 D N -0.589 119.757 120.400 -0.091 0.000 2.218 408 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 408 D C 1.825 178.079 176.300 -0.077 0.000 0.976 408 D CA 1.051 55.005 54.000 -0.076 0.000 0.853 408 D CB -0.085 40.671 40.800 -0.072 0.000 0.939 408 D HN 0.323 nan 8.370 nan 0.000 0.481 409 A N 0.430 123.201 122.820 -0.081 0.000 1.903 409 A HA -0.011 4.309 4.320 -0.000 0.000 0.213 409 A C 2.316 179.852 177.584 -0.080 0.000 1.185 409 A CA 0.377 52.367 52.037 -0.078 0.000 0.628 409 A CB -0.355 18.603 19.000 -0.070 0.000 0.830 409 A HN 0.118 nan 8.150 nan 0.000 0.446 410 I N -0.514 120.003 120.570 -0.089 0.000 2.233 410 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 410 I C 2.351 178.408 176.117 -0.100 0.000 1.093 410 I CA 0.848 62.086 61.300 -0.103 0.000 1.380 410 I CB -0.313 37.613 38.000 -0.124 0.000 1.067 410 I HN 0.124 nan 8.210 nan 0.000 0.413 411 V N 0.704 120.562 119.914 -0.093 0.000 2.252 411 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 411 V C 2.468 178.528 176.094 -0.056 0.000 1.056 411 V CA 1.856 64.107 62.300 -0.082 0.000 1.022 411 V CB -0.471 31.306 31.823 -0.077 0.000 0.641 411 V HN 0.239 nan 8.190 nan 0.000 0.445 412 V N -0.618 119.265 119.914 -0.052 0.000 2.343 412 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 412 V C 2.340 178.409 176.094 -0.040 0.000 1.051 412 V CA 1.871 64.148 62.300 -0.039 0.000 1.036 412 V CB -0.335 31.458 31.823 -0.049 0.000 0.654 412 V HN 0.404 nan 8.190 nan 0.000 0.451 413 V N -0.368 119.512 119.914 -0.056 0.000 2.323 413 V HA -0.188 3.931 4.120 -0.000 0.000 0.244 413 V C 2.597 178.659 176.094 -0.053 0.000 1.041 413 V CA 1.953 64.219 62.300 -0.057 0.000 1.025 413 V CB -0.542 31.240 31.823 -0.069 0.000 0.656 413 V HN 0.575 nan 8.190 nan 0.000 0.451 414 E N 0.771 120.932 120.200 -0.064 0.000 2.070 414 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 414 E C 2.058 178.641 176.600 -0.029 0.000 1.004 414 E CA 2.031 58.394 56.400 -0.063 0.000 0.805 414 E CB -0.304 29.342 29.700 -0.090 0.000 0.744 414 E HN 0.580 nan 8.360 nan 0.000 0.451 415 N N -0.146 118.550 118.700 -0.006 0.000 2.104 415 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 415 N C 1.927 177.450 175.510 0.022 0.000 1.024 415 N CA 1.699 54.774 53.050 0.043 0.000 0.853 415 N CB -0.160 38.381 38.487 0.091 0.000 1.008 415 N HN 0.009 nan 8.380 nan 0.000 0.424 416 V N 1.106 121.020 119.914 -0.000 0.000 2.261 416 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 416 V C 2.091 178.174 176.094 -0.019 0.000 1.047 416 V CA 1.621 63.915 62.300 -0.010 0.000 1.015 416 V CB -0.551 31.262 31.823 -0.018 0.000 0.642 416 V HN 0.354 nan 8.190 nan 0.000 0.446 417 E N -0.084 120.099 120.200 -0.029 0.000 2.204 417 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 417 E C 2.326 178.896 176.600 -0.049 0.000 0.990 417 E CA 0.813 57.189 56.400 -0.040 0.000 0.821 417 E CB -0.216 29.457 29.700 -0.046 0.000 0.750 417 E HN 0.491 nan 8.360 nan 0.000 0.477 418 R N 0.778 121.259 120.500 -0.032 0.000 2.062 418 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 418 R C 2.387 178.673 176.300 -0.024 0.000 1.128 418 R CA 0.846 56.929 56.100 -0.028 0.000 0.960 418 R CB -0.126 30.183 30.300 0.014 0.000 0.855 418 R HN -0.007 nan 8.270 nan 0.000 0.432 419 V N 1.493 121.404 119.914 -0.004 0.000 2.332 419 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 419 V C 2.484 178.567 176.094 -0.018 0.000 1.055 419 V CA 1.897 64.194 62.300 -0.006 0.000 1.038 419 V CB -0.378 31.442 31.823 -0.004 0.000 0.651 419 V HN 0.378 nan 8.190 nan 0.000 0.450 420 M N -0.200 119.384 119.600 -0.027 0.000 2.086 420 M HA -0.126 4.353 4.480 -0.000 0.000 0.261 420 M C 2.234 178.508 176.300 -0.042 0.000 1.067 420 M CA 2.142 57.425 55.300 -0.029 0.000 1.116 420 M CB -0.528 32.055 32.600 -0.029 0.000 1.348 420 M HN 0.380 nan 8.290 nan 0.000 0.407 421 A N -0.880 121.893 122.820 -0.078 0.000 2.209 421 A HA -0.112 4.208 4.320 -0.000 0.000 0.212 421 A C 1.861 179.375 177.584 -0.116 0.000 1.158 421 A CA 1.343 53.299 52.037 -0.135 0.000 0.742 421 A CB -0.487 18.360 19.000 -0.256 0.000 0.790 421 A HN 0.561 nan 8.150 nan 0.000 0.472 422 E N -1.197 118.973 120.200 -0.050 0.000 2.290 422 E HA 0.043 4.393 4.350 -0.000 0.000 0.199 422 E C 1.551 178.165 176.600 0.024 0.000 0.912 422 E CA 0.424 56.833 56.400 0.015 0.000 0.924 422 E CB 0.277 29.991 29.700 0.023 0.000 0.901 422 E HN 0.661 nan 8.360 nan 0.000 0.487 423 E N -1.361 118.842 120.200 0.005 0.000 2.421 423 E HA 0.177 4.527 4.350 -0.000 0.000 0.209 423 E C 0.483 177.084 176.600 0.002 0.000 0.871 423 E CA 0.435 56.838 56.400 0.005 0.000 1.064 423 E CB 1.506 31.205 29.700 -0.003 0.000 1.075 423 E HN 0.259 nan 8.360 nan 0.000 0.513 424 G N 1.982 110.780 108.800 -0.003 0.000 2.142 424 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.225 424 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.225 424 G C 0.009 174.907 174.900 -0.004 0.000 1.015 424 G CA -0.094 45.004 45.100 -0.003 0.000 0.716 424 G HN 0.077 nan 8.290 nan 0.000 0.508 425 L N 1.553 122.772 121.223 -0.007 0.000 2.436 425 L HA 0.396 4.736 4.340 -0.000 0.000 0.265 425 L C -1.018 175.848 176.870 -0.007 0.000 1.168 425 L CA -1.942 52.893 54.840 -0.007 0.000 0.815 425 L CB 0.571 42.624 42.059 -0.010 0.000 1.109 425 L HN 0.012 nan 8.230 nan 0.000 0.462 426 P HA 0.054 nan 4.420 nan 0.000 0.269 426 P C -2.225 175.072 177.300 -0.005 0.000 1.209 426 P CA -1.269 61.828 63.100 -0.004 0.000 0.776 426 P CB 0.071 31.770 31.700 -0.003 0.000 0.876 427 P HA -0.209 nan 4.420 nan 0.000 0.216 427 P C 1.389 178.686 177.300 -0.005 0.000 1.157 427 P CA 2.011 65.108 63.100 -0.005 0.000 0.880 427 P CB 0.002 31.702 31.700 -0.001 0.000 0.791 428 K N -0.579 119.819 120.400 -0.003 0.000 2.063 428 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 428 K C 2.258 178.853 176.600 -0.007 0.000 1.048 428 K CA 1.584 57.869 56.287 -0.004 0.000 0.928 428 K CB -0.286 32.212 32.500 -0.003 0.000 0.713 428 K HN 0.050 nan 8.250 nan 0.000 0.442 429 E N 0.540 120.735 120.200 -0.008 0.000 2.158 429 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 429 E C 1.623 178.216 176.600 -0.012 0.000 0.982 429 E CA 1.083 57.477 56.400 -0.010 0.000 0.823 429 E CB -0.017 29.677 29.700 -0.010 0.000 0.766 429 E HN 0.284 nan 8.360 nan 0.000 0.468 430 A N -0.456 122.357 122.820 -0.011 0.000 1.930 430 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 430 A C 2.324 179.902 177.584 -0.011 0.000 1.175 430 A CA 1.924 53.953 52.037 -0.012 0.000 0.627 430 A CB -0.833 18.160 19.000 -0.012 0.000 0.815 430 A HN 0.339 nan 8.150 nan 0.000 0.443 431 T N -0.847 113.701 114.554 -0.010 0.000 2.857 431 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 431 T C 2.063 176.758 174.700 -0.008 0.000 1.048 431 T CA 1.319 63.414 62.100 -0.009 0.000 1.139 431 T CB -0.175 68.687 68.868 -0.010 0.000 0.874 431 T HN 0.487 nan 8.240 nan 0.000 0.455 432 R N 0.932 121.427 120.500 -0.009 0.000 2.081 432 R HA -0.082 4.257 4.340 -0.000 0.000 0.235 432 R C 2.491 178.782 176.300 -0.015 0.000 1.131 432 R CA 1.540 57.634 56.100 -0.010 0.000 0.960 432 R CB -0.091 30.203 30.300 -0.011 0.000 0.856 432 R HN 0.227 nan 8.270 nan 0.000 0.436 433 K N 0.225 120.613 120.400 -0.019 0.000 2.001 433 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 433 K C 2.014 178.593 176.600 -0.035 0.000 1.048 433 K CA 2.090 58.359 56.287 -0.030 0.000 0.932 433 K CB -0.240 32.241 32.500 -0.030 0.000 0.715 433 K HN 0.176 nan 8.250 nan 0.000 0.437 434 S N 0.020 115.708 115.700 -0.020 0.000 2.368 434 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 434 S C 2.027 176.629 174.600 0.003 0.000 1.029 434 S CA 1.216 59.413 58.200 -0.005 0.000 0.988 434 S CB -0.337 62.872 63.200 0.015 0.000 0.838 434 S HN 0.228 nan 8.310 nan 0.000 0.462 435 M N 1.866 121.465 119.600 -0.001 0.000 2.149 435 M HA 0.032 4.512 4.480 -0.000 0.000 0.261 435 M C 2.522 178.818 176.300 -0.008 0.000 1.064 435 M CA 1.511 56.812 55.300 0.001 0.000 1.102 435 M CB -2.322 30.278 32.600 0.001 0.000 1.369 435 M HN 0.576 nan 8.290 nan 0.000 0.408 436 G N -0.142 108.644 108.800 -0.022 0.000 2.469 436 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 436 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 436 G C 1.528 176.396 174.900 -0.054 0.000 1.136 436 G CA 0.732 45.810 45.100 -0.037 0.000 0.759 436 G HN 0.549 nan 8.290 nan 0.000 0.562 437 Q N -0.320 119.436 119.800 -0.074 0.000 2.172 437 Q HA 0.063 4.403 4.340 -0.000 0.000 0.200 437 Q C 2.372 178.372 176.000 -0.000 0.000 0.964 437 Q CA 1.204 56.926 55.803 -0.134 0.000 0.855 437 Q CB -0.067 28.501 28.738 -0.284 0.000 0.918 437 Q HN 0.834 nan 8.270 nan 0.000 0.444 438 I N -3.721 116.883 120.570 0.056 0.000 4.082 438 I HA 0.125 4.295 4.170 -0.000 0.000 0.337 438 I C 1.623 177.758 176.117 0.030 0.000 1.352 438 I CA -0.131 61.226 61.300 0.095 0.000 1.097 438 I CB 0.197 38.268 38.000 0.118 0.000 1.048 438 I HN -0.024 nan 8.210 nan 0.000 0.393 439 Q N 2.197 122.000 119.800 0.004 0.000 1.967 439 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 439 Q C 2.321 178.303 176.000 -0.029 0.000 0.985 439 Q CA 2.330 58.125 55.803 -0.014 0.000 0.839 439 Q CB -0.405 28.322 28.738 -0.018 0.000 0.906 439 Q HN 0.713 nan 8.270 nan 0.000 0.423 440 G N 0.402 109.178 108.800 -0.039 0.000 2.469 440 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 440 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 440 G C 1.454 176.306 174.900 -0.080 0.000 1.136 440 G CA 1.054 46.112 45.100 -0.069 0.000 0.759 440 G HN 0.454 nan 8.290 nan 0.000 0.562 441 A N 0.590 123.385 122.820 -0.041 0.000 1.883 441 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 441 A C 2.455 180.015 177.584 -0.040 0.000 1.186 441 A CA 1.489 53.508 52.037 -0.030 0.000 0.624 441 A CB -0.415 18.610 19.000 0.042 0.000 0.822 441 A HN 0.372 nan 8.150 nan 0.000 0.444 442 L N -0.526 120.680 121.223 -0.029 0.000 2.109 442 L HA -0.109 4.230 4.340 -0.000 0.000 0.207 442 L C 2.448 179.293 176.870 -0.041 0.000 1.086 442 L CA 0.903 55.724 54.840 -0.032 0.000 0.760 442 L CB -0.542 41.500 42.059 -0.028 0.000 0.910 442 L HN 0.255 nan 8.230 nan 0.000 0.437 443 V N 0.144 120.029 119.914 -0.049 0.000 2.515 443 V HA -0.129 3.991 4.120 -0.000 0.000 0.250 443 V C 2.628 178.682 176.094 -0.068 0.000 1.058 443 V CA 1.729 63.996 62.300 -0.054 0.000 1.064 443 V CB -1.294 30.495 31.823 -0.056 0.000 0.675 443 V HN 0.531 nan 8.190 nan 0.000 0.461 444 G N 1.691 110.434 108.800 -0.094 0.000 2.433 444 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 444 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 444 G C 1.542 176.391 174.900 -0.085 0.000 1.186 444 G CA 1.360 46.387 45.100 -0.122 0.000 0.779 444 G HN 0.674 nan 8.290 nan 0.000 0.543 445 I N 0.036 120.569 120.570 -0.061 0.000 2.361 445 I HA 0.108 4.278 4.170 -0.000 0.000 0.251 445 I C 2.747 178.854 176.117 -0.016 0.000 1.133 445 I CA 1.478 62.757 61.300 -0.034 0.000 1.413 445 I CB -0.656 37.332 38.000 -0.020 0.000 1.073 445 I HN 0.138 nan 8.210 nan 0.000 0.424 446 A N 1.259 124.070 122.820 -0.016 0.000 1.877 446 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 446 A C 2.268 179.857 177.584 0.007 0.000 1.186 446 A CA 2.187 54.227 52.037 0.005 0.000 0.620 446 A CB -0.613 18.384 19.000 -0.005 0.000 0.822 446 A HN 0.463 nan 8.150 nan 0.000 0.443 447 M N -0.417 119.172 119.600 -0.018 0.000 2.175 447 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 447 M C 2.168 178.454 176.300 -0.024 0.000 1.063 447 M CA 1.083 56.370 55.300 -0.021 0.000 1.119 447 M CB -1.504 31.069 32.600 -0.045 0.000 1.377 447 M HN 0.217 nan 8.290 nan 0.000 0.415 448 V N 0.457 120.348 119.914 -0.038 0.000 2.270 448 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 448 V C 2.548 178.601 176.094 -0.069 0.000 1.043 448 V CA 1.388 63.659 62.300 -0.049 0.000 1.014 448 V CB -0.665 31.129 31.823 -0.050 0.000 0.645 448 V HN 0.358 nan 8.190 nan 0.000 0.447 449 L N 0.786 121.980 121.223 -0.048 0.000 2.083 449 L HA -0.170 4.169 4.340 -0.000 0.000 0.209 449 L C 2.760 179.603 176.870 -0.044 0.000 1.083 449 L CA 1.850 56.641 54.840 -0.083 0.000 0.752 449 L CB -0.672 41.451 42.059 0.107 0.000 0.899 449 L HN 0.568 nan 8.230 nan 0.000 0.433 450 S N 0.079 115.828 115.700 0.082 0.000 2.368 450 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 450 S C 2.140 176.785 174.600 0.074 0.000 1.030 450 S CA 0.822 59.107 58.200 0.142 0.000 0.999 450 S CB -0.553 62.714 63.200 0.112 0.000 0.844 450 S HN 0.339 nan 8.310 nan 0.000 0.459 451 A N 1.291 124.114 122.820 0.006 0.000 2.125 451 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 451 A C 2.329 179.901 177.584 -0.020 0.000 1.156 451 A CA 1.498 53.533 52.037 -0.003 0.000 0.671 451 A CB -0.849 18.142 19.000 -0.014 0.000 0.794 451 A HN 1.208 nan 8.150 nan 0.000 0.459 452 V N -5.539 114.291 119.914 -0.140 0.000 3.565 452 V HA 0.254 4.374 4.120 -0.000 0.000 0.260 452 V C 1.818 177.839 176.094 -0.122 0.000 1.231 452 V CA 0.758 62.937 62.300 -0.202 0.000 1.100 452 V CB -0.697 30.872 31.823 -0.422 0.000 0.807 452 V HN 0.386 nan 8.190 nan 0.000 0.454 453 F N 0.030 120.075 119.950 0.158 0.000 2.343 453 F HA 0.217 4.744 4.527 -0.000 0.000 0.286 453 F C 2.389 178.308 175.800 0.199 0.000 1.057 453 F CA 1.097 59.207 58.000 0.183 0.000 1.365 453 F CB -0.022 39.066 39.000 0.147 0.000 1.114 453 F HN -0.061 nan 8.300 nan 0.000 0.545 454 V N 1.318 121.440 119.914 0.346 0.000 2.282 454 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 454 V C -0.641 175.653 176.094 0.332 0.000 1.057 454 V CA 2.121 64.603 62.300 0.303 0.000 1.032 454 V CB -1.865 30.110 31.823 0.254 0.000 0.645 454 V HN 0.156 nan 8.190 nan 0.000 0.447 455 P HA -0.203 nan 4.420 nan 0.000 0.218 455 P C 1.882 179.160 177.300 -0.037 0.000 1.146 455 P CA 1.819 64.953 63.100 0.057 0.000 0.813 455 P CB -0.224 31.430 31.700 -0.076 0.000 0.778 456 M N -2.720 116.957 119.600 0.129 0.000 2.492 456 M HA 0.149 4.629 4.480 -0.000 0.000 0.262 456 M C 1.807 178.331 176.300 0.374 0.000 1.090 456 M CA 1.628 57.067 55.300 0.231 0.000 1.110 456 M CB -0.576 32.296 32.600 0.453 0.000 1.407 456 M HN -0.216 nan 8.290 nan 0.000 0.470 457 A N 0.400 123.392 122.820 0.286 0.000 2.014 457 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 457 A C 1.367 178.964 177.584 0.021 0.000 1.163 457 A CA 0.863 53.005 52.037 0.175 0.000 0.652 457 A CB -1.012 18.016 19.000 0.047 0.000 0.808 457 A HN 0.620 nan 8.150 nan 0.000 0.449 458 F N -1.053 118.896 119.950 -0.002 0.000 2.725 458 F HA 0.270 4.797 4.527 -0.000 0.000 0.303 458 F C 0.227 175.962 175.800 -0.109 0.000 1.167 458 F CA -0.344 57.615 58.000 -0.068 0.000 1.403 458 F CB -0.458 38.459 39.000 -0.139 0.000 1.077 458 F HN 0.053 nan 8.300 nan 0.000 0.537 459 F N 0.212 120.238 119.950 0.126 0.000 2.471 459 F HA 0.358 4.885 4.527 -0.000 0.000 0.353 459 F C 1.380 177.238 175.800 0.096 0.000 1.113 459 F CA -0.449 57.603 58.000 0.087 0.000 1.262 459 F CB 0.395 39.452 39.000 0.094 0.000 1.146 459 F HN -0.061 nan 8.300 nan 0.000 0.578 460 G N 1.521 110.508 108.800 0.313 0.000 2.572 460 G HA2 0.457 4.417 3.960 -0.000 0.000 0.261 460 G HA3 0.457 4.417 3.960 -0.000 0.000 0.261 460 G C 0.311 175.313 174.900 0.170 0.000 1.197 460 G CA 0.056 45.270 45.100 0.190 0.000 0.870 460 G HN 1.137 nan 8.290 nan 0.000 0.548 461 G N 0.349 109.223 108.800 0.122 0.000 2.547 461 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.271 461 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.271 461 G C 1.476 176.423 174.900 0.079 0.000 1.209 461 G CA 0.690 45.850 45.100 0.100 0.000 0.959 461 G HN 1.191 nan 8.290 nan 0.000 0.563 462 S N 0.166 115.892 115.700 0.043 0.000 2.345 462 S HA -0.085 4.385 4.470 -0.000 0.000 0.219 462 S C 2.800 177.383 174.600 -0.027 0.000 1.031 462 S CA 3.154 61.348 58.200 -0.010 0.000 0.984 462 S CB -0.777 62.385 63.200 -0.063 0.000 0.874 462 S HN 1.514 nan 8.310 nan 0.000 0.451 463 T N 0.522 115.054 114.554 -0.037 0.000 2.720 463 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 463 T C 2.036 176.848 174.700 0.187 0.000 1.037 463 T CA 1.437 63.529 62.100 -0.014 0.000 1.144 463 T CB -1.235 67.657 68.868 0.040 0.000 0.864 463 T HN 0.388 nan 8.240 nan 0.000 0.444 464 G N 1.377 110.332 108.800 0.259 0.000 2.475 464 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.220 464 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.220 464 G C 1.842 176.900 174.900 0.265 0.000 1.125 464 G CA 0.932 46.254 45.100 0.369 0.000 0.755 464 G HN 0.778 nan 8.290 nan 0.000 0.565 465 A N 0.556 123.463 122.820 0.145 0.000 1.929 465 A HA 0.173 4.493 4.320 -0.000 0.000 0.216 465 A C 2.373 180.011 177.584 0.090 0.000 1.176 465 A CA 1.033 53.123 52.037 0.088 0.000 0.628 465 A CB -0.222 18.796 19.000 0.029 0.000 0.816 465 A HN 0.377 nan 8.150 nan 0.000 0.444 466 I N -1.964 118.637 120.570 0.051 0.000 2.202 466 I HA -0.265 3.904 4.170 -0.000 0.000 0.242 466 I C 2.336 178.549 176.117 0.160 0.000 1.091 466 I CA 1.441 62.752 61.300 0.019 0.000 1.368 466 I CB -0.557 37.355 38.000 -0.148 0.000 1.058 466 I HN 0.381 nan 8.210 nan 0.000 0.410 467 Y N 0.563 121.028 120.300 0.275 0.000 2.293 467 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 467 Y C 2.805 178.921 175.900 0.360 0.000 1.137 467 Y CA 1.035 59.353 58.100 0.364 0.000 1.202 467 Y CB -0.296 38.355 38.460 0.318 0.000 0.990 467 Y HN 0.024 nan 8.280 nan 0.000 0.537 468 R N 0.287 121.032 120.500 0.408 0.000 2.105 468 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 468 R C 2.155 178.679 176.300 0.373 0.000 1.135 468 R CA 1.466 57.757 56.100 0.319 0.000 0.967 468 R CB -0.024 30.407 30.300 0.217 0.000 0.861 468 R HN 0.340 nan 8.270 nan 0.000 0.442 469 Q N -0.340 119.653 119.800 0.322 0.000 2.020 469 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 469 Q C 2.071 178.154 176.000 0.139 0.000 0.982 469 Q CA 1.785 57.758 55.803 0.282 0.000 0.838 469 Q CB -0.434 28.303 28.738 -0.002 0.000 0.899 469 Q HN 0.371 nan 8.270 nan 0.000 0.423 470 F N 0.607 120.688 119.950 0.219 0.000 2.146 470 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 470 F C 2.880 178.752 175.800 0.119 0.000 1.096 470 F CA 1.205 59.305 58.000 0.167 0.000 1.275 470 F CB -0.521 38.594 39.000 0.191 0.000 1.008 470 F HN 0.039 nan 8.300 nan 0.000 0.480 471 S N 0.469 116.393 115.700 0.374 0.000 2.343 471 S HA -0.179 4.291 4.470 -0.000 0.000 0.219 471 S C 2.043 176.724 174.600 0.135 0.000 1.033 471 S CA 1.452 59.817 58.200 0.275 0.000 1.014 471 S CB -0.493 62.902 63.200 0.325 0.000 0.915 471 S HN 0.173 nan 8.310 nan 0.000 0.435 472 I N 1.505 122.125 120.570 0.084 0.000 2.286 472 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 472 I C 2.543 178.572 176.117 -0.147 0.000 1.115 472 I CA 1.352 62.611 61.300 -0.069 0.000 1.392 472 I CB -0.811 37.047 38.000 -0.237 0.000 1.065 472 I HN 0.309 nan 8.210 nan 0.000 0.418 473 T N 0.548 115.022 114.554 -0.134 0.000 2.652 473 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 473 T C 1.994 176.626 174.700 -0.113 0.000 1.039 473 T CA 1.771 63.792 62.100 -0.133 0.000 1.153 473 T CB -0.314 68.511 68.868 -0.071 0.000 0.863 473 T HN 0.221 nan 8.240 nan 0.000 0.428 474 I N 0.614 121.124 120.570 -0.101 0.000 2.202 474 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 474 I C 2.518 178.535 176.117 -0.166 0.000 1.091 474 I CA 0.819 61.993 61.300 -0.209 0.000 1.368 474 I CB -0.452 37.270 38.000 -0.464 0.000 1.058 474 I HN 0.068 nan 8.210 nan 0.000 0.410 475 V N 0.353 120.224 119.914 -0.071 0.000 2.324 475 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 475 V C 2.542 178.641 176.094 0.008 0.000 1.060 475 V CA 2.326 64.651 62.300 0.042 0.000 1.042 475 V CB -0.640 31.251 31.823 0.112 0.000 0.650 475 V HN 0.394 nan 8.190 nan 0.000 0.450 476 S N -0.233 115.450 115.700 -0.029 0.000 2.382 476 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 476 S C 2.153 176.704 174.600 -0.080 0.000 1.027 476 S CA 1.369 59.541 58.200 -0.047 0.000 0.991 476 S CB -0.393 62.756 63.200 -0.084 0.000 0.823 476 S HN 0.673 nan 8.310 nan 0.000 0.469 477 A N 1.815 124.571 122.820 -0.107 0.000 1.872 477 A HA 0.029 4.349 4.320 -0.000 0.000 0.214 477 A C 2.095 179.628 177.584 -0.085 0.000 1.187 477 A CA 1.328 53.293 52.037 -0.121 0.000 0.614 477 A CB -0.616 18.296 19.000 -0.148 0.000 0.826 477 A HN 0.433 nan 8.150 nan 0.000 0.442 478 M N 0.468 120.031 119.600 -0.062 0.000 2.065 478 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 478 M C 2.230 178.524 176.300 -0.010 0.000 1.069 478 M CA 2.306 57.594 55.300 -0.019 0.000 1.110 478 M CB -0.990 31.638 32.600 0.047 0.000 1.328 478 M HN 0.395 nan 8.290 nan 0.000 0.405 479 A N 0.255 123.074 122.820 -0.001 0.000 1.972 479 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 479 A C 2.212 179.777 177.584 -0.032 0.000 1.169 479 A CA 1.326 53.361 52.037 -0.003 0.000 0.635 479 A CB -0.881 18.127 19.000 0.014 0.000 0.810 479 A HN 0.592 nan 8.150 nan 0.000 0.446 480 L N 0.175 121.369 121.223 -0.049 0.000 2.109 480 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 480 L C 2.972 179.796 176.870 -0.077 0.000 1.086 480 L CA 1.528 56.327 54.840 -0.068 0.000 0.760 480 L CB -0.227 41.783 42.059 -0.082 0.000 0.910 480 L HN 0.609 nan 8.230 nan 0.000 0.437 481 S N -1.798 113.858 115.700 -0.072 0.000 2.453 481 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 481 S C 1.803 176.361 174.600 -0.069 0.000 1.005 481 S CA 0.877 59.031 58.200 -0.076 0.000 0.949 481 S CB -0.187 62.968 63.200 -0.075 0.000 0.774 481 S HN 0.204 nan 8.310 nan 0.000 0.510 482 V N 0.919 120.799 119.914 -0.056 0.000 2.649 482 V HA 0.194 4.314 4.120 -0.000 0.000 0.248 482 V C 2.168 178.223 176.094 -0.065 0.000 1.054 482 V CA 1.052 63.321 62.300 -0.051 0.000 1.073 482 V CB -0.324 31.480 31.823 -0.033 0.000 0.699 482 V HN 0.532 nan 8.190 nan 0.000 0.463 483 L N -1.160 120.018 121.223 -0.074 0.000 2.131 483 L HA -0.064 4.275 4.340 -0.000 0.000 0.206 483 L C 2.399 179.188 176.870 -0.135 0.000 1.087 483 L CA 0.894 55.676 54.840 -0.097 0.000 0.767 483 L CB -0.403 41.602 42.059 -0.091 0.000 0.917 483 L HN 0.173 nan 8.230 nan 0.000 0.441 484 V N 0.099 119.937 119.914 -0.127 0.000 2.358 484 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 484 V C 2.692 178.702 176.094 -0.141 0.000 1.047 484 V CA 1.767 63.977 62.300 -0.149 0.000 1.035 484 V CB -0.727 31.019 31.823 -0.129 0.000 0.658 484 V HN 0.472 nan 8.190 nan 0.000 0.452 485 A N -0.694 122.062 122.820 -0.107 0.000 2.070 485 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 485 A C 2.094 179.631 177.584 -0.079 0.000 1.159 485 A CA 1.440 53.424 52.037 -0.089 0.000 0.656 485 A CB -0.378 18.580 19.000 -0.070 0.000 0.800 485 A HN 0.543 nan 8.150 nan 0.000 0.453 486 L N -1.707 119.464 121.223 -0.086 0.000 2.529 486 L HA 0.207 4.546 4.340 -0.000 0.000 0.223 486 L C 1.802 178.627 176.870 -0.075 0.000 1.113 486 L CA 0.299 55.103 54.840 -0.061 0.000 0.861 486 L CB 0.041 42.071 42.059 -0.048 0.000 1.012 486 L HN 0.357 nan 8.230 nan 0.000 0.461 487 I N -1.966 118.496 120.570 -0.180 0.000 3.650 487 I HA -0.056 4.114 4.170 -0.000 0.000 0.261 487 I C 1.734 177.673 176.117 -0.297 0.000 1.154 487 I CA 0.186 61.276 61.300 -0.351 0.000 1.418 487 I CB 0.286 37.865 38.000 -0.702 0.000 1.539 487 I HN -0.008 nan 8.210 nan 0.000 0.449 488 L N 0.579 121.628 121.223 -0.291 0.000 2.102 488 L HA -0.044 4.296 4.340 -0.000 0.000 0.202 488 L C 2.560 179.285 176.870 -0.242 0.000 1.076 488 L CA 2.309 56.967 54.840 -0.303 0.000 0.761 488 L CB -0.671 41.188 42.059 -0.333 0.000 0.921 488 L HN 0.374 nan 8.230 nan 0.000 0.444 489 T N -2.030 112.415 114.554 -0.183 0.000 2.788 489 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 489 T C -0.612 174.029 174.700 -0.099 0.000 1.044 489 T CA 0.984 63.001 62.100 -0.138 0.000 1.139 489 T CB -1.965 66.837 68.868 -0.110 0.000 0.867 489 T HN 0.340 nan 8.240 nan 0.000 0.454 490 P HA 0.123 nan 4.420 nan 0.000 0.221 490 P C 1.589 178.868 177.300 -0.035 0.000 1.150 490 P CA 1.249 64.325 63.100 -0.039 0.000 0.800 490 P CB -0.202 31.492 31.700 -0.009 0.000 0.787 491 A N 0.266 123.051 122.820 -0.057 0.000 1.897 491 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 491 A C 2.349 179.890 177.584 -0.071 0.000 1.181 491 A CA 0.999 53.004 52.037 -0.052 0.000 0.620 491 A CB -1.497 17.458 19.000 -0.075 0.000 0.821 491 A HN 0.110 nan 8.150 nan 0.000 0.443 492 L N -0.843 120.305 121.223 -0.124 0.000 2.201 492 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 492 L C 2.353 179.195 176.870 -0.047 0.000 1.105 492 L CA 0.713 55.496 54.840 -0.097 0.000 0.775 492 L CB -0.492 41.479 42.059 -0.146 0.000 0.913 492 L HN 0.469 nan 8.230 nan 0.000 0.440 493 C N -0.593 118.679 119.300 -0.048 0.000 2.464 493 C HA 0.084 4.544 4.460 -0.000 0.000 0.278 493 C C 2.842 177.823 174.990 -0.016 0.000 1.375 493 C CA 0.617 59.616 59.018 -0.032 0.000 1.761 493 C CB -0.679 27.041 27.740 -0.035 0.000 1.944 493 C HN 0.579 nan 8.230 nan 0.000 0.509 494 A N 0.426 123.239 122.820 -0.012 0.000 2.147 494 A HA 0.026 4.346 4.320 -0.000 0.000 0.211 494 A C 1.984 179.575 177.584 0.012 0.000 1.160 494 A CA 1.645 53.682 52.037 -0.001 0.000 0.781 494 A CB -0.431 18.568 19.000 -0.001 0.000 0.842 494 A HN 0.600 nan 8.150 nan 0.000 0.475 495 T N -3.918 110.649 114.554 0.022 0.000 3.043 495 T HA 0.348 4.698 4.350 -0.000 0.000 0.272 495 T C 0.779 175.516 174.700 0.061 0.000 0.990 495 T CA 0.488 62.617 62.100 0.049 0.000 0.897 495 T CB -0.163 68.753 68.868 0.079 0.000 1.111 495 T HN 0.544 nan 8.240 nan 0.000 0.529 496 M N -0.307 119.320 119.600 0.044 0.000 3.340 496 M HA 0.569 5.049 4.480 -0.000 0.000 0.471 496 M C -1.404 174.909 176.300 0.022 0.000 1.550 496 M CA -0.560 54.767 55.300 0.045 0.000 0.754 496 M CB 0.558 33.198 32.600 0.068 0.000 1.485 496 M HN -0.023 nan 8.290 nan 0.000 0.530 497 L N 2.050 123.281 121.223 0.013 0.000 2.322 497 L HA 0.608 4.948 4.340 -0.000 0.000 0.281 497 L C -0.499 176.375 176.870 0.007 0.000 1.014 497 L CA -0.040 54.802 54.840 0.002 0.000 0.815 497 L CB 1.945 43.999 42.059 -0.010 0.000 1.247 497 L HN 0.242 nan 8.230 nan 0.000 0.421 498 K N 5.391 125.796 120.400 0.008 0.000 2.143 498 K HA 0.488 4.808 4.320 -0.000 0.000 0.272 498 K C -2.285 174.316 176.600 0.001 0.000 1.001 498 K CA -1.669 54.624 56.287 0.010 0.000 0.915 498 K CB 0.992 33.504 32.500 0.018 0.000 1.047 498 K HN 0.378 nan 8.250 nan 0.000 0.458 499 P HA 0.100 nan 4.420 nan 0.000 0.271 499 P C -0.772 176.523 177.300 -0.008 0.000 1.218 499 P CA 0.136 63.234 63.100 -0.005 0.000 0.780 499 P CB 0.593 32.292 31.700 -0.001 0.000 0.901 500 I N 0.898 121.459 120.570 -0.015 0.000 2.433 500 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 500 I C 0.513 176.622 176.117 -0.014 0.000 1.001 500 I CA -1.307 59.982 61.300 -0.019 0.000 1.119 500 I CB 1.891 39.869 38.000 -0.037 0.000 1.289 500 I HN 0.282 nan 8.210 nan 0.000 0.438 501 A N 5.520 128.336 122.820 -0.005 0.000 2.440 501 A HA 0.189 4.508 4.320 -0.000 0.000 0.251 501 A C 0.357 177.945 177.584 0.007 0.000 1.089 501 A CA -0.321 51.718 52.037 0.002 0.000 0.779 501 A CB 0.218 19.223 19.000 0.008 0.000 1.022 501 A HN 0.830 nan 8.150 nan 0.000 0.492 502 K N 1.870 122.276 120.400 0.010 0.000 2.513 502 K HA 0.071 4.391 4.320 -0.000 0.000 0.275 502 K C 1.104 177.732 176.600 0.047 0.000 1.025 502 K CA 1.364 57.664 56.287 0.021 0.000 1.125 502 K CB -0.377 32.135 32.500 0.020 0.000 0.843 502 K HN 1.854 nan 8.250 nan 0.000 0.486 503 G N 3.650 112.496 108.800 0.077 0.000 2.221 503 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 503 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 503 G C 0.467 175.510 174.900 0.239 0.000 1.041 503 G CA 0.387 45.599 45.100 0.186 0.000 0.807 503 G HN 0.902 nan 8.290 nan 0.000 0.502 504 D N -0.162 120.316 120.400 0.131 0.000 2.084 504 D HA -0.075 4.564 4.640 -0.000 0.000 0.199 504 D C 1.691 178.100 176.300 0.182 0.000 0.981 504 D CA 1.328 55.386 54.000 0.096 0.000 0.841 504 D CB -0.186 40.622 40.800 0.014 0.000 0.997 504 D HN 0.652 nan 8.370 nan 0.000 0.454 505 H N -1.625 117.447 119.070 0.003 0.000 3.612 505 H HA -0.206 4.350 4.556 -0.000 0.000 0.212 505 H C 1.186 176.509 175.328 -0.008 0.000 1.041 505 H CA 0.962 57.011 56.048 0.003 0.000 1.205 505 H CB -1.542 28.227 29.762 0.012 0.000 1.159 505 H HN 0.481 nan 8.280 nan 0.000 0.323 506 G N 0.972 109.818 108.800 0.077 0.000 2.203 506 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.263 506 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.263 506 G C -0.010 174.911 174.900 0.035 0.000 1.012 506 G CA 0.869 45.992 45.100 0.039 0.000 0.749 506 G HN 0.645 nan 8.290 nan 0.000 0.512 507 E N 0.001 120.224 120.200 0.039 0.000 2.299 507 E HA 0.441 4.791 4.350 -0.000 0.000 0.272 507 E C 1.300 177.877 176.600 -0.037 0.000 1.043 507 E CA 0.794 57.188 56.400 -0.009 0.000 0.895 507 E CB 0.566 30.252 29.700 -0.023 0.000 1.011 507 E HN 1.142 nan 8.360 nan 0.000 0.432 508 G N 3.644 112.396 108.800 -0.079 0.000 3.076 508 G HA2 -0.399 3.560 3.960 -0.000 0.000 0.256 508 G HA3 -0.399 3.560 3.960 -0.000 0.000 0.256 508 G C 0.642 175.549 174.900 0.013 0.000 1.589 508 G CA 0.105 45.156 45.100 -0.080 0.000 1.044 508 G HN 0.628 nan 8.290 nan 0.000 0.563 509 K N -0.874 119.548 120.400 0.036 0.000 3.138 509 K HA -0.292 4.028 4.320 -0.000 0.000 0.187 509 K C 0.952 177.624 176.600 0.121 0.000 0.767 509 K CA 2.374 58.701 56.287 0.067 0.000 0.521 509 K CB -0.933 31.599 32.500 0.053 0.000 0.757 509 K HN 0.591 nan 8.250 nan 0.000 0.792 510 K N 0.373 120.860 120.400 0.144 0.000 2.149 510 K HA 0.173 4.493 4.320 -0.000 0.000 0.245 510 K C 1.112 177.866 176.600 0.257 0.000 1.024 510 K CA 0.786 57.181 56.287 0.181 0.000 0.899 510 K CB 0.960 33.560 32.500 0.166 0.000 1.038 510 K HN 0.700 nan 8.250 nan 0.000 0.496 511 G N -0.180 108.700 108.800 0.133 0.000 2.639 511 G HA2 -0.003 3.956 3.960 -0.000 0.000 0.201 511 G HA3 -0.003 3.956 3.960 -0.000 0.000 0.201 511 G C 0.837 175.432 174.900 -0.509 0.000 1.260 511 G CA -0.173 44.789 45.100 -0.230 0.000 0.749 511 G HN 0.374 nan 8.290 nan 0.000 0.611 512 F N -0.021 119.845 119.950 -0.140 0.000 2.699 512 F HA 0.360 4.887 4.527 -0.000 0.000 0.298 512 F C 1.593 177.251 175.800 -0.236 0.000 1.154 512 F CA 0.641 58.533 58.000 -0.180 0.000 1.457 512 F CB 0.160 39.134 39.000 -0.043 0.000 1.106 512 F HN 0.099 nan 8.300 nan 0.000 0.585 513 F N -1.501 118.451 119.950 0.004 0.000 2.658 513 F HA 0.390 4.916 4.527 -0.000 0.000 0.293 513 F C 1.346 177.104 175.800 -0.070 0.000 0.986 513 F CA -0.071 57.946 58.000 0.029 0.000 1.182 513 F CB 0.238 39.303 39.000 0.108 0.000 0.965 513 F HN -0.313 nan 8.300 nan 0.000 0.659 514 G N -1.383 107.468 108.800 0.085 0.000 2.990 514 G HA2 0.355 4.315 3.960 -0.000 0.000 0.300 514 G HA3 0.355 4.315 3.960 -0.000 0.000 0.300 514 G C -1.075 173.884 174.900 0.097 0.000 1.498 514 G CA -0.132 44.970 45.100 0.004 0.000 1.074 514 G HN 0.171 nan 8.290 nan 0.000 0.542 515 W N 2.051 123.058 121.300 -0.489 0.000 2.555 515 W HA 0.331 4.991 4.660 -0.000 0.000 0.324 515 W C 1.361 177.758 176.519 -0.203 0.000 0.973 515 W CA -0.649 56.494 57.345 -0.337 0.000 1.481 515 W CB -0.023 29.226 29.460 -0.353 0.000 1.064 515 W HN 0.621 nan 8.180 nan 0.000 0.543 516 F N 0.723 120.805 119.950 0.220 0.000 2.407 516 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 516 F C 1.639 177.554 175.800 0.191 0.000 1.097 516 F CA 0.762 58.874 58.000 0.188 0.000 1.422 516 F CB -0.662 38.459 39.000 0.202 0.000 1.067 516 F HN -0.200 nan 8.300 nan 0.000 0.539 517 N N 0.929 119.760 118.700 0.219 0.000 2.069 517 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 517 N C 1.645 177.225 175.510 0.116 0.000 1.031 517 N CA 1.198 54.324 53.050 0.127 0.000 0.852 517 N CB -0.396 38.120 38.487 0.049 0.000 1.018 517 N HN 0.185 nan 8.380 nan 0.000 0.423 518 R N 0.299 120.819 120.500 0.033 0.000 2.096 518 R HA -0.051 4.289 4.340 -0.000 0.000 0.240 518 R C 2.112 178.415 176.300 0.005 0.000 1.139 518 R CA 1.616 57.695 56.100 -0.035 0.000 0.952 518 R CB -0.360 29.845 30.300 -0.159 0.000 0.854 518 R HN 0.361 nan 8.270 nan 0.000 0.436 519 M N -0.961 118.669 119.600 0.050 0.000 2.200 519 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 519 M C 1.825 178.107 176.300 -0.030 0.000 1.066 519 M CA 1.538 56.844 55.300 0.010 0.000 1.127 519 M CB -0.313 32.304 32.600 0.028 0.000 1.379 519 M HN 0.045 nan 8.290 nan 0.000 0.420 520 F N 1.096 121.025 119.950 -0.035 0.000 2.234 520 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 520 F C 2.542 178.330 175.800 -0.021 0.000 1.087 520 F CA 1.366 59.324 58.000 -0.071 0.000 1.340 520 F CB -0.082 38.830 39.000 -0.148 0.000 1.031 520 F HN 0.112 nan 8.300 nan 0.000 0.500 521 E N 0.380 120.685 120.200 0.174 0.000 2.274 521 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 521 E C 1.924 178.582 176.600 0.096 0.000 0.996 521 E CA 1.035 57.513 56.400 0.130 0.000 0.840 521 E CB -0.089 29.640 29.700 0.048 0.000 0.772 521 E HN 0.192 nan 8.360 nan 0.000 0.491 522 K N -0.377 120.059 120.400 0.061 0.000 2.062 522 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 522 K C 2.123 178.900 176.600 0.295 0.000 1.051 522 K CA 1.268 57.628 56.287 0.121 0.000 0.941 522 K CB -0.011 32.558 32.500 0.116 0.000 0.719 522 K HN 0.185 nan 8.250 nan 0.000 0.440 523 S N 0.087 115.855 115.700 0.113 0.000 2.423 523 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 523 S C 2.046 176.625 174.600 -0.035 0.000 1.014 523 S CA 1.703 59.888 58.200 -0.026 0.000 0.965 523 S CB -0.419 62.590 63.200 -0.319 0.000 0.785 523 S HN 0.262 nan 8.310 nan 0.000 0.495 524 T N 0.640 115.233 114.554 0.065 0.000 2.904 524 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 524 T C 1.634 176.418 174.700 0.141 0.000 1.059 524 T CA 1.235 63.394 62.100 0.099 0.000 1.137 524 T CB -0.448 68.505 68.868 0.141 0.000 0.879 524 T HN 0.586 nan 8.240 nan 0.000 0.467 525 H N -0.398 118.712 119.070 0.067 0.000 2.428 525 H HA 0.102 4.658 4.556 -0.000 0.000 0.296 525 H C 2.092 177.437 175.328 0.028 0.000 1.062 525 H CA 1.683 57.742 56.048 0.018 0.000 1.350 525 H CB -0.217 29.515 29.762 -0.049 0.000 1.403 525 H HN 0.539 nan 8.280 nan 0.000 0.533 526 H N -1.683 117.514 119.070 0.212 0.000 2.421 526 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 526 H C 1.110 176.655 175.328 0.361 0.000 1.087 526 H CA 1.446 57.640 56.048 0.243 0.000 1.330 526 H CB 0.165 30.072 29.762 0.242 0.000 1.388 526 H HN 0.348 nan 8.280 nan 0.000 0.526 527 Y N -1.416 118.970 120.300 0.142 0.000 2.476 527 Y HA -0.026 4.523 4.550 -0.000 0.000 0.283 527 Y C 2.661 178.555 175.900 -0.011 0.000 1.109 527 Y CA 0.901 59.041 58.100 0.066 0.000 1.246 527 Y CB -0.398 38.064 38.460 0.003 0.000 1.068 527 Y HN 0.129 nan 8.280 nan 0.000 0.552 528 T N -0.572 114.046 114.554 0.107 0.000 2.857 528 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 528 T C 1.323 176.010 174.700 -0.021 0.000 1.048 528 T CA 1.798 63.889 62.100 -0.015 0.000 1.139 528 T CB -0.151 68.655 68.868 -0.104 0.000 0.874 528 T HN 0.169 nan 8.240 nan 0.000 0.455 529 D N 0.821 121.225 120.400 0.006 0.000 2.149 529 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 529 D C 2.552 178.861 176.300 0.014 0.000 0.972 529 D CA 1.438 55.439 54.000 0.000 0.000 0.835 529 D CB -0.376 40.424 40.800 0.000 0.000 0.966 529 D HN 0.566 nan 8.370 nan 0.000 0.476 530 S N 0.029 115.759 115.700 0.049 0.000 2.345 530 S HA -0.115 4.355 4.470 -0.000 0.000 0.220 530 S C 2.245 176.854 174.600 0.014 0.000 1.031 530 S CA 0.890 59.115 58.200 0.041 0.000 0.996 530 S CB -0.827 62.413 63.200 0.066 0.000 0.882 530 S HN 0.080 nan 8.310 nan 0.000 0.445 531 V N 2.718 122.646 119.914 0.023 0.000 2.255 531 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 531 V C 2.961 179.008 176.094 -0.079 0.000 1.051 531 V CA 2.077 64.359 62.300 -0.030 0.000 1.018 531 V CB -1.745 30.023 31.823 -0.091 0.000 0.641 531 V HN 0.673 nan 8.190 nan 0.000 0.445 532 G N -0.388 108.376 108.800 -0.059 0.000 2.422 532 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 532 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 532 G C 1.592 176.461 174.900 -0.052 0.000 1.146 532 G CA 0.987 46.053 45.100 -0.058 0.000 0.769 532 G HN 0.606 nan 8.290 nan 0.000 0.547 533 G N 1.580 110.355 108.800 -0.041 0.000 2.433 533 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 533 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 533 G C 1.540 176.414 174.900 -0.042 0.000 1.186 533 G CA 1.079 46.161 45.100 -0.030 0.000 0.779 533 G HN 0.757 nan 8.290 nan 0.000 0.543 534 I N -1.186 119.333 120.570 -0.084 0.000 3.764 534 I HA 0.392 4.562 4.170 -0.000 0.000 0.312 534 I C 1.303 177.294 176.117 -0.209 0.000 1.340 534 I CA 0.226 61.448 61.300 -0.131 0.000 1.195 534 I CB 0.111 37.983 38.000 -0.214 0.000 1.068 534 I HN -0.005 nan 8.210 nan 0.000 0.421 535 L N -0.117 121.029 121.223 -0.128 0.000 2.607 535 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 535 L C 2.296 179.140 176.870 -0.044 0.000 1.123 535 L CA 0.257 55.034 54.840 -0.104 0.000 0.890 535 L CB -0.189 41.820 42.059 -0.082 0.000 1.103 535 L HN 0.302 nan 8.230 nan 0.000 0.468 536 R N -0.142 120.344 120.500 -0.023 0.000 2.052 536 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 536 R C 1.442 177.757 176.300 0.026 0.000 1.149 536 R CA 1.248 57.350 56.100 0.004 0.000 0.962 536 R CB -0.518 29.787 30.300 0.008 0.000 0.856 536 R HN 0.240 nan 8.270 nan 0.000 0.433 537 S N 1.262 116.992 115.700 0.051 0.000 4.069 537 S HA 0.091 4.561 4.470 -0.000 0.000 0.192 537 S C 0.630 175.327 174.600 0.161 0.000 1.441 537 S CA -0.407 57.850 58.200 0.096 0.000 0.994 537 S CB 0.229 63.495 63.200 0.110 0.000 1.456 537 S HN 0.150 nan 8.310 nan 0.000 0.458 538 T N 1.299 115.910 114.554 0.095 0.000 2.851 538 T HA 0.057 4.406 4.350 -0.000 0.000 0.262 538 T C 2.111 176.898 174.700 0.143 0.000 1.043 538 T CA 1.039 63.194 62.100 0.091 0.000 1.140 538 T CB -0.777 68.108 68.868 0.030 0.000 0.872 538 T HN 0.642 nan 8.240 nan 0.000 0.446 539 G N 1.392 110.255 108.800 0.105 0.000 2.479 539 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 539 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 539 G C 1.703 176.664 174.900 0.100 0.000 1.115 539 G CA 0.279 45.436 45.100 0.095 0.000 0.757 539 G HN 0.418 nan 8.290 nan 0.000 0.560 540 R N -1.551 119.008 120.500 0.097 0.000 2.210 540 R HA 0.159 4.499 4.340 -0.000 0.000 0.203 540 R C 1.871 178.168 176.300 -0.005 0.000 1.010 540 R CA 0.152 56.269 56.100 0.028 0.000 1.008 540 R CB -0.107 30.175 30.300 -0.031 0.000 0.923 540 R HN 0.448 nan 8.270 nan 0.000 0.469 541 Y N 0.459 120.776 120.300 0.028 0.000 2.337 541 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 541 Y C 1.898 177.925 175.900 0.210 0.000 1.123 541 Y CA 0.853 58.978 58.100 0.042 0.000 1.201 541 Y CB 0.048 38.438 38.460 -0.116 0.000 1.011 541 Y HN -0.044 nan 8.280 nan 0.000 0.545 542 L N -1.171 120.250 121.223 0.330 0.000 2.131 542 L HA -0.218 4.121 4.340 -0.000 0.000 0.210 542 L C 2.082 179.148 176.870 0.328 0.000 1.092 542 L CA 0.679 55.730 54.840 0.351 0.000 0.759 542 L CB -0.601 41.600 42.059 0.236 0.000 0.903 542 L HN 0.097 nan 8.230 nan 0.000 0.435 543 V N -0.493 119.545 119.914 0.206 0.000 2.358 543 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 543 V C 2.314 178.493 176.094 0.143 0.000 1.047 543 V CA 1.415 63.797 62.300 0.136 0.000 1.035 543 V CB -0.473 31.387 31.823 0.062 0.000 0.658 543 V HN 0.325 nan 8.190 nan 0.000 0.452 544 L N -0.305 121.016 121.223 0.163 0.000 2.131 544 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 544 L C 2.283 179.305 176.870 0.252 0.000 1.092 544 L CA 1.973 56.920 54.840 0.178 0.000 0.759 544 L CB -0.951 41.211 42.059 0.172 0.000 0.903 544 L HN 0.477 nan 8.230 nan 0.000 0.435 545 Y N -0.641 119.806 120.300 0.245 0.000 2.224 545 Y HA -0.224 4.326 4.550 -0.000 0.000 0.289 545 Y C 2.172 178.107 175.900 0.059 0.000 1.146 545 Y CA 1.795 59.963 58.100 0.114 0.000 1.182 545 Y CB -0.088 38.528 38.460 0.259 0.000 0.983 545 Y HN 0.199 nan 8.280 nan 0.000 0.524 546 L N -0.266 121.004 121.223 0.079 0.000 2.141 546 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 546 L C 2.199 179.023 176.870 -0.077 0.000 1.094 546 L CA 1.094 55.914 54.840 -0.033 0.000 0.763 546 L CB -0.434 41.660 42.059 0.058 0.000 0.908 546 L HN 0.303 nan 8.230 nan 0.000 0.437 547 I N -0.246 120.304 120.570 -0.032 0.000 2.394 547 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 547 I C 2.294 178.371 176.117 -0.067 0.000 1.136 547 I CA 1.332 62.614 61.300 -0.031 0.000 1.425 547 I CB -0.218 37.783 38.000 0.001 0.000 1.079 547 I HN 0.172 nan 8.210 nan 0.000 0.425 548 I N -0.132 120.362 120.570 -0.127 0.000 2.315 548 I HA -0.206 3.963 4.170 -0.000 0.000 0.248 548 I C 2.463 178.455 176.117 -0.209 0.000 1.117 548 I CA 0.947 62.144 61.300 -0.171 0.000 1.404 548 I CB -0.337 37.513 38.000 -0.250 0.000 1.071 548 I HN 0.016 nan 8.210 nan 0.000 0.419 549 V N 0.326 120.057 119.914 -0.306 0.000 2.283 549 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 549 V C 2.405 178.431 176.094 -0.114 0.000 1.039 549 V CA 1.464 63.614 62.300 -0.252 0.000 1.016 549 V CB -0.210 31.426 31.823 -0.312 0.000 0.650 549 V HN 0.211 nan 8.190 nan 0.000 0.449 550 V N 0.883 120.749 119.914 -0.080 0.000 2.427 550 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 550 V C 2.614 178.728 176.094 0.033 0.000 1.051 550 V CA 1.988 64.276 62.300 -0.020 0.000 1.048 550 V CB -1.331 30.480 31.823 -0.020 0.000 0.666 550 V HN 0.608 nan 8.190 nan 0.000 0.456 551 G N -0.552 108.262 108.800 0.022 0.000 2.422 551 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 551 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 551 G C 1.635 176.597 174.900 0.103 0.000 1.146 551 G CA 1.125 46.271 45.100 0.076 0.000 0.769 551 G HN 0.457 nan 8.290 nan 0.000 0.547 552 M N 0.930 120.561 119.600 0.053 0.000 2.117 552 M HA 0.044 4.524 4.480 -0.000 0.000 0.262 552 M C 2.735 179.118 176.300 0.138 0.000 1.065 552 M CA 1.830 57.181 55.300 0.085 0.000 1.114 552 M CB -0.174 32.444 32.600 0.030 0.000 1.361 552 M HN 0.255 nan 8.290 nan 0.000 0.408 553 A N -0.419 122.450 122.820 0.083 0.000 1.933 553 A HA -0.241 4.078 4.320 -0.000 0.000 0.218 553 A C 1.961 179.651 177.584 0.177 0.000 1.175 553 A CA 1.692 53.781 52.037 0.087 0.000 0.628 553 A CB -1.274 17.742 19.000 0.028 0.000 0.814 553 A HN 0.780 nan 8.150 nan 0.000 0.444 554 Y N 0.284 120.621 120.300 0.062 0.000 2.263 554 Y HA -0.015 4.535 4.550 -0.000 0.000 0.292 554 Y C 1.852 177.801 175.900 0.081 0.000 1.130 554 Y CA 1.386 59.523 58.100 0.061 0.000 1.179 554 Y CB -0.263 38.219 38.460 0.038 0.000 0.998 554 Y HN 0.199 nan 8.280 nan 0.000 0.532 555 L N -1.505 119.699 121.223 -0.032 0.000 2.093 555 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 555 L C 2.230 179.066 176.870 -0.057 0.000 1.085 555 L CA 1.279 56.053 54.840 -0.111 0.000 0.755 555 L CB -0.723 41.345 42.059 0.015 0.000 0.904 555 L HN 0.181 nan 8.230 nan 0.000 0.435 556 F N -0.138 119.773 119.950 -0.065 0.000 2.202 556 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 556 F C 2.159 177.921 175.800 -0.063 0.000 1.082 556 F CA 1.296 59.277 58.000 -0.031 0.000 1.313 556 F CB 0.076 39.078 39.000 0.004 0.000 1.024 556 F HN -0.228 nan 8.300 nan 0.000 0.495 557 V N -0.400 119.576 119.914 0.103 0.000 2.300 557 V HA -0.130 3.990 4.120 -0.000 0.000 0.241 557 V C 2.081 178.112 176.094 -0.106 0.000 1.034 557 V CA 1.318 63.632 62.300 0.024 0.000 1.021 557 V CB -0.422 31.428 31.823 0.046 0.000 0.662 557 V HN 0.066 nan 8.190 nan 0.000 0.458 558 R N 0.245 120.596 120.500 -0.248 0.000 2.328 558 R HA 0.206 4.545 4.340 -0.000 0.000 0.206 558 R C 0.209 176.380 176.300 -0.214 0.000 0.990 558 R CA 0.116 56.057 56.100 -0.265 0.000 1.085 558 R CB -0.694 29.332 30.300 -0.456 0.000 0.998 558 R HN 0.367 nan 8.270 nan 0.000 0.484 559 L N 3.397 124.493 121.223 -0.211 0.000 2.255 559 L HA 0.302 4.642 4.340 -0.000 0.000 0.289 559 L C -1.961 174.779 176.870 -0.217 0.000 1.046 559 L CA -1.858 52.844 54.840 -0.229 0.000 0.816 559 L CB 1.450 43.330 42.059 -0.299 0.000 1.197 559 L HN -0.144 nan 8.230 nan 0.000 0.427 560 P HA -0.004 nan 4.420 nan 0.000 0.263 560 P C -0.695 176.480 177.300 -0.209 0.000 1.175 560 P CA 0.152 63.150 63.100 -0.169 0.000 0.761 560 P CB 0.717 32.333 31.700 -0.141 0.000 0.794 561 S N 1.107 116.686 115.700 -0.202 0.000 2.617 561 S HA 0.565 5.034 4.470 -0.000 0.000 0.283 561 S C 0.114 174.536 174.600 -0.297 0.000 1.189 561 S CA -0.263 57.790 58.200 -0.245 0.000 1.036 561 S CB 1.140 64.201 63.200 -0.231 0.000 1.014 561 S HN 0.613 nan 8.310 nan 0.000 0.522 562 S N 0.193 115.681 115.700 -0.354 0.000 2.752 562 S HA 0.709 5.178 4.470 -0.000 0.000 0.284 562 S C -0.744 173.561 174.600 -0.492 0.000 1.189 562 S CA -0.550 57.415 58.200 -0.392 0.000 0.835 562 S CB 0.377 63.470 63.200 -0.178 0.000 1.192 562 S HN 0.563 nan 8.310 nan 0.000 0.506 563 F N 0.058 119.987 119.950 -0.035 0.000 2.534 563 F HA 0.580 5.107 4.527 -0.000 0.000 0.274 563 F C -0.215 175.545 175.800 -0.068 0.000 0.917 563 F CA -0.343 57.619 58.000 -0.064 0.000 1.145 563 F CB 0.304 39.263 39.000 -0.069 0.000 1.145 563 F HN 0.224 nan 8.300 nan 0.000 0.746 564 L N 0.500 121.834 121.223 0.185 0.000 2.431 564 L HA 0.484 4.824 4.340 -0.000 0.000 0.266 564 L C -2.687 174.281 176.870 0.164 0.000 0.978 564 L CA -1.668 53.268 54.840 0.161 0.000 0.822 564 L CB 1.620 43.756 42.059 0.129 0.000 1.310 564 L HN -0.173 nan 8.230 nan 0.000 0.409 565 P HA 0.199 nan 4.420 nan 0.000 0.275 565 P C -1.027 176.355 177.300 0.136 0.000 1.227 565 P CA -0.508 62.670 63.100 0.131 0.000 0.781 565 P CB 0.505 32.270 31.700 0.109 0.000 0.906 566 D N 2.032 122.496 120.400 0.105 0.000 2.378 566 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 566 D C 0.344 176.706 176.300 0.102 0.000 1.180 566 D CA 0.548 54.611 54.000 0.105 0.000 0.895 566 D CB 0.734 41.591 40.800 0.095 0.000 1.192 566 D HN 0.378 nan 8.370 nan 0.000 0.438 567 E N 0.407 120.659 120.200 0.088 0.000 2.336 567 E HA 0.138 4.487 4.350 -0.000 0.000 0.267 567 E C -0.744 175.899 176.600 0.071 0.000 0.906 567 E CA -0.710 55.743 56.400 0.088 0.000 0.781 567 E CB 1.659 31.413 29.700 0.089 0.000 1.261 567 E HN 0.292 nan 8.360 nan 0.000 0.436 568 D N 1.639 122.114 120.400 0.125 0.000 2.383 568 D HA -0.021 4.619 4.640 -0.000 0.000 0.245 568 D C 0.071 176.527 176.300 0.261 0.000 1.263 568 D CA 0.268 54.384 54.000 0.194 0.000 0.936 568 D CB 0.462 41.409 40.800 0.245 0.000 1.053 568 D HN 0.341 nan 8.370 nan 0.000 0.507 569 Q N 2.082 121.973 119.800 0.152 0.000 2.280 569 Q HA 0.176 4.516 4.340 -0.000 0.000 0.202 569 Q C 1.115 177.359 176.000 0.407 0.000 0.903 569 Q CA 0.261 56.117 55.803 0.087 0.000 0.948 569 Q CB 0.067 28.705 28.738 -0.166 0.000 1.058 569 Q HN 0.797 nan 8.270 nan 0.000 0.493 570 G N -0.094 108.985 108.800 0.465 0.000 2.153 570 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 570 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 570 G C -0.233 174.707 174.900 0.066 0.000 0.994 570 G CA 0.421 45.614 45.100 0.156 0.000 0.698 570 G HN 0.318 nan 8.290 nan 0.000 0.521 571 V N 0.048 120.042 119.914 0.134 0.000 2.924 571 V HA 0.777 4.897 4.120 -0.000 0.000 0.300 571 V C -0.566 175.591 176.094 0.105 0.000 1.227 571 V CA -0.288 62.009 62.300 -0.005 0.000 0.954 571 V CB 2.028 33.909 31.823 0.097 0.000 1.055 571 V HN 1.226 nan 8.190 nan 0.000 0.429 572 F N 3.755 123.542 119.950 -0.272 0.000 2.779 572 F HA 0.917 5.444 4.527 -0.000 0.000 0.316 572 F C -1.094 174.515 175.800 -0.320 0.000 1.164 572 F CA -1.235 56.643 58.000 -0.202 0.000 0.924 572 F CB 2.072 40.996 39.000 -0.127 0.000 1.348 572 F HN 0.539 nan 8.300 nan 0.000 0.467 573 M N 1.467 120.927 119.600 -0.234 0.000 2.421 573 M HA 0.534 5.014 4.480 -0.000 0.000 0.287 573 M C -1.528 174.643 176.300 -0.215 0.000 1.183 573 M CA -0.516 54.595 55.300 -0.315 0.000 0.916 573 M CB 2.040 34.625 32.600 -0.025 0.000 1.701 573 M HN 0.866 nan 8.290 nan 0.000 0.470 574 T N 3.188 117.734 114.554 -0.013 0.000 2.909 574 T HA 0.753 5.103 4.350 -0.000 0.000 0.286 574 T C -0.461 174.306 174.700 0.111 0.000 1.002 574 T CA -0.630 61.557 62.100 0.145 0.000 1.074 574 T CB 0.696 69.724 68.868 0.267 0.000 0.984 574 T HN 0.781 nan 8.240 nan 0.000 0.495 575 M N 3.246 122.982 119.600 0.227 0.000 2.528 575 M HA 0.775 5.255 4.480 -0.000 0.000 0.321 575 M C -1.564 174.799 176.300 0.105 0.000 1.153 575 M CA -0.801 54.603 55.300 0.172 0.000 0.951 575 M CB 1.852 34.616 32.600 0.274 0.000 1.705 575 M HN 0.184 nan 8.290 nan 0.000 0.451 576 V N 2.402 122.328 119.914 0.020 0.000 2.407 576 V HA 0.537 4.657 4.120 -0.000 0.000 0.291 576 V C -0.919 175.172 176.094 -0.005 0.000 1.018 576 V CA -0.253 62.035 62.300 -0.020 0.000 0.842 576 V CB 1.364 33.144 31.823 -0.071 0.000 0.996 576 V HN 0.921 nan 8.190 nan 0.000 0.426 577 Q N 4.541 124.355 119.800 0.023 0.000 2.454 577 Q HA 0.467 4.806 4.340 -0.000 0.000 0.255 577 Q C -1.014 174.998 176.000 0.020 0.000 1.034 577 Q CA -0.227 55.593 55.803 0.027 0.000 0.736 577 Q CB 1.003 29.781 28.738 0.067 0.000 1.210 577 Q HN 0.584 nan 8.270 nan 0.000 0.500 578 L N 3.949 125.175 121.223 0.004 0.000 2.464 578 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 578 L C -1.847 175.032 176.870 0.015 0.000 1.199 578 L CA -1.562 53.281 54.840 0.005 0.000 0.818 578 L CB 0.163 42.220 42.059 -0.002 0.000 1.102 578 L HN 0.539 nan 8.230 nan 0.000 0.473 579 P HA 0.080 nan 4.420 nan 0.000 0.269 579 P C -0.710 176.606 177.300 0.026 0.000 1.215 579 P CA -0.404 62.710 63.100 0.023 0.000 0.780 579 P CB 0.449 32.160 31.700 0.018 0.000 0.898 580 A N 2.296 125.138 122.820 0.037 0.000 2.565 580 A HA 0.375 4.695 4.320 -0.000 0.000 0.237 580 A C 1.534 179.143 177.584 0.041 0.000 1.053 580 A CA 0.958 53.023 52.037 0.046 0.000 0.755 580 A CB -1.494 17.545 19.000 0.066 0.000 0.980 580 A HN 0.898 nan 8.150 nan 0.000 0.506 581 G N 0.559 109.385 108.800 0.043 0.000 2.194 581 G HA2 0.168 4.128 3.960 -0.000 0.000 0.236 581 G HA3 0.168 4.128 3.960 -0.000 0.000 0.236 581 G C 0.623 175.540 174.900 0.029 0.000 0.987 581 G CA 0.473 45.598 45.100 0.042 0.000 0.635 581 G HN 2.223 nan 8.290 nan 0.000 0.520 582 A N 0.176 123.008 122.820 0.021 0.000 2.425 582 A HA 0.680 5.000 4.320 -0.000 0.000 0.242 582 A C 0.809 178.402 177.584 0.014 0.000 1.077 582 A CA 1.315 53.359 52.037 0.012 0.000 0.781 582 A CB 0.337 19.341 19.000 0.006 0.000 1.020 582 A HN 0.711 nan 8.150 nan 0.000 0.494 583 T N 0.663 115.222 114.554 0.008 0.000 2.902 583 T HA 0.225 4.575 4.350 -0.000 0.000 0.280 583 T C 1.466 176.168 174.700 0.003 0.000 0.992 583 T CA 0.056 62.161 62.100 0.008 0.000 1.015 583 T CB 1.325 70.194 68.868 0.001 0.000 1.044 583 T HN 0.782 nan 8.240 nan 0.000 0.520 584 Q N 0.855 120.659 119.800 0.006 0.000 2.096 584 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 584 Q C 2.070 178.066 176.000 -0.006 0.000 0.993 584 Q CA 2.112 57.917 55.803 0.004 0.000 0.862 584 Q CB -0.023 28.722 28.738 0.012 0.000 0.915 584 Q HN 0.782 nan 8.270 nan 0.000 0.416 585 E N -0.530 119.664 120.200 -0.009 0.000 2.106 585 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 585 E C 2.059 178.650 176.600 -0.015 0.000 0.984 585 E CA 0.662 57.053 56.400 -0.015 0.000 0.806 585 E CB 0.115 29.803 29.700 -0.020 0.000 0.750 585 E HN 0.321 nan 8.360 nan 0.000 0.458 586 R N -0.228 120.264 120.500 -0.013 0.000 2.120 586 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 586 R C 2.302 178.592 176.300 -0.015 0.000 1.123 586 R CA 1.631 57.723 56.100 -0.013 0.000 0.975 586 R CB -0.391 29.902 30.300 -0.011 0.000 0.866 586 R HN 0.218 nan 8.270 nan 0.000 0.446 587 T N 0.807 115.352 114.554 -0.015 0.000 2.770 587 T HA -0.145 4.205 4.350 -0.000 0.000 0.263 587 T C 1.759 176.444 174.700 -0.025 0.000 1.039 587 T CA 1.052 63.139 62.100 -0.022 0.000 1.142 587 T CB -0.200 68.655 68.868 -0.022 0.000 0.868 587 T HN 0.096 nan 8.240 nan 0.000 0.435 588 Q N 1.682 121.470 119.800 -0.021 0.000 2.197 588 Q HA -0.104 4.236 4.340 -0.000 0.000 0.207 588 Q C 2.159 178.150 176.000 -0.016 0.000 0.984 588 Q CA 1.612 57.402 55.803 -0.021 0.000 0.869 588 Q CB -0.317 28.411 28.738 -0.017 0.000 0.906 588 Q HN 0.454 nan 8.270 nan 0.000 0.426 589 K N -0.795 119.596 120.400 -0.015 0.000 2.009 589 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 589 K C 1.851 178.446 176.600 -0.010 0.000 1.049 589 K CA 1.773 58.052 56.287 -0.013 0.000 0.929 589 K CB -0.223 32.268 32.500 -0.015 0.000 0.714 589 K HN 0.191 nan 8.250 nan 0.000 0.440 590 V N 2.002 121.906 119.914 -0.017 0.000 2.295 590 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 590 V C 2.466 178.542 176.094 -0.031 0.000 1.049 590 V CA 1.584 63.869 62.300 -0.026 0.000 1.024 590 V CB -0.376 31.419 31.823 -0.045 0.000 0.648 590 V HN 0.325 nan 8.190 nan 0.000 0.447 591 L N 0.225 121.428 121.223 -0.033 0.000 2.042 591 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 591 L C 2.517 179.397 176.870 0.018 0.000 1.076 591 L CA 1.639 56.464 54.840 -0.026 0.000 0.749 591 L CB -0.780 41.258 42.059 -0.035 0.000 0.893 591 L HN 0.406 nan 8.230 nan 0.000 0.432 592 N N 0.087 118.801 118.700 0.022 0.000 2.149 592 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 592 N C 1.691 177.264 175.510 0.104 0.000 1.019 592 N CA 1.344 54.425 53.050 0.052 0.000 0.857 592 N CB -0.149 38.356 38.487 0.030 0.000 0.997 592 N HN 0.500 nan 8.380 nan 0.000 0.426 593 E N 0.176 120.431 120.200 0.092 0.000 2.107 593 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 593 E C 1.998 178.761 176.600 0.271 0.000 0.982 593 E CA 0.476 56.967 56.400 0.151 0.000 0.809 593 E CB 0.110 29.876 29.700 0.110 0.000 0.756 593 E HN 0.060 nan 8.360 nan 0.000 0.459 594 V N 1.417 121.450 119.914 0.198 0.000 2.295 594 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 594 V C 2.301 178.587 176.094 0.320 0.000 1.049 594 V CA 2.231 64.671 62.300 0.234 0.000 1.024 594 V CB -0.788 31.024 31.823 -0.020 0.000 0.648 594 V HN 0.345 nan 8.190 nan 0.000 0.447 595 T N -1.160 113.542 114.554 0.247 0.000 2.684 595 T HA -0.306 4.044 4.350 -0.000 0.000 0.267 595 T C 1.846 176.674 174.700 0.214 0.000 1.036 595 T CA 2.255 64.491 62.100 0.226 0.000 1.148 595 T CB -0.458 68.479 68.868 0.114 0.000 0.863 595 T HN 0.672 nan 8.240 nan 0.000 0.436 596 H N -0.192 118.951 119.070 0.120 0.000 2.352 596 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 596 H C 2.053 177.430 175.328 0.083 0.000 1.097 596 H CA 2.001 58.100 56.048 0.084 0.000 1.311 596 H CB -0.426 29.380 29.762 0.072 0.000 1.377 596 H HN 0.494 nan 8.280 nan 0.000 0.504 597 Y N -0.109 120.247 120.300 0.093 0.000 2.097 597 Y HA -0.357 4.193 4.550 -0.000 0.000 0.282 597 Y C 1.728 177.566 175.900 -0.103 0.000 1.152 597 Y CA 2.011 60.064 58.100 -0.079 0.000 1.136 597 Y CB -0.841 37.478 38.460 -0.234 0.000 0.975 597 Y HN 0.251 nan 8.280 nan 0.000 0.498 598 Y N 0.097 120.411 120.300 0.022 0.000 2.333 598 Y HA -0.166 4.383 4.550 -0.000 0.000 0.290 598 Y C 2.211 178.006 175.900 -0.176 0.000 1.144 598 Y CA 1.402 59.431 58.100 -0.118 0.000 1.228 598 Y CB -0.413 38.088 38.460 0.069 0.000 0.985 598 Y HN 0.211 nan 8.280 nan 0.000 0.542 599 L N -1.932 119.274 121.223 -0.027 0.000 2.298 599 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 599 L C 1.961 178.725 176.870 -0.177 0.000 1.084 599 L CA 1.038 55.820 54.840 -0.097 0.000 0.816 599 L CB -0.524 41.478 42.059 -0.095 0.000 0.967 599 L HN 0.109 nan 8.230 nan 0.000 0.460 600 T N -0.481 113.911 114.554 -0.271 0.000 2.818 600 T HA -0.062 4.288 4.350 -0.000 0.000 0.246 600 T C 1.761 176.335 174.700 -0.211 0.000 1.036 600 T CA 0.845 62.787 62.100 -0.264 0.000 1.160 600 T CB -0.020 68.636 68.868 -0.352 0.000 0.869 600 T HN 0.138 nan 8.240 nan 0.000 0.419 601 K N 0.773 120.999 120.400 -0.290 0.000 2.418 601 K HA 0.149 4.468 4.320 -0.000 0.000 0.195 601 K C 1.103 177.503 176.600 -0.334 0.000 1.035 601 K CA 0.573 56.670 56.287 -0.316 0.000 1.003 601 K CB 0.283 32.548 32.500 -0.392 0.000 0.793 601 K HN 0.170 nan 8.250 nan 0.000 0.494 602 E N 0.547 120.557 120.200 -0.316 0.000 3.306 602 E HA 0.073 4.423 4.350 -0.000 0.000 0.197 602 E C 0.588 177.139 176.600 -0.082 0.000 0.980 602 E CA -0.093 56.208 56.400 -0.164 0.000 1.259 602 E CB 0.303 29.945 29.700 -0.097 0.000 1.112 602 E HN 0.014 nan 8.360 nan 0.000 0.458 603 K N 0.274 120.617 120.400 -0.096 0.000 2.044 603 K HA -0.198 4.121 4.320 -0.000 0.000 0.210 603 K C 1.090 177.663 176.600 -0.045 0.000 1.049 603 K CA 1.811 58.056 56.287 -0.070 0.000 0.927 603 K CB 0.090 32.546 32.500 -0.074 0.000 0.713 603 K HN 0.156 nan 8.250 nan 0.000 0.443 604 N N 0.694 119.371 118.700 -0.038 0.000 2.244 604 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 604 N C 1.101 176.601 175.510 -0.017 0.000 1.016 604 N CA 1.296 54.332 53.050 -0.024 0.000 0.866 604 N CB -0.294 38.182 38.487 -0.018 0.000 0.980 604 N HN 0.424 nan 8.380 nan 0.000 0.430 605 N N -0.463 118.232 118.700 -0.009 0.000 2.439 605 N HA 0.067 4.807 4.740 -0.000 0.000 0.176 605 N C -0.301 175.206 175.510 -0.005 0.000 1.029 605 N CA -0.020 53.033 53.050 0.005 0.000 0.886 605 N CB 0.951 39.459 38.487 0.035 0.000 1.057 605 N HN -0.115 nan 8.380 nan 0.000 0.437 606 V N 2.179 122.088 119.914 -0.010 0.000 2.455 606 V HA 0.013 4.133 4.120 -0.000 0.000 0.273 606 V C 1.131 177.182 176.094 -0.072 0.000 1.045 606 V CA 0.266 62.537 62.300 -0.048 0.000 0.976 606 V CB 1.427 33.228 31.823 -0.036 0.000 0.993 606 V HN 0.211 nan 8.190 nan 0.000 0.475 607 E N 4.425 124.569 120.200 -0.093 0.000 2.033 607 E HA -0.025 4.325 4.350 -0.000 0.000 0.189 607 E C 0.774 177.314 176.600 -0.100 0.000 0.979 607 E CA 1.209 57.567 56.400 -0.070 0.000 0.802 607 E CB 0.277 29.947 29.700 -0.051 0.000 0.763 607 E HN 0.860 nan 8.360 nan 0.000 0.449 608 S N -1.950 113.641 115.700 -0.181 0.000 2.615 608 S HA 0.577 5.047 4.470 -0.000 0.000 0.269 608 S C -1.312 173.064 174.600 -0.372 0.000 1.161 608 S CA -0.862 57.129 58.200 -0.349 0.000 0.817 608 S CB 1.788 64.644 63.200 -0.574 0.000 1.131 608 S HN -0.014 nan 8.310 nan 0.000 0.467 609 V N 2.051 121.714 119.914 -0.417 0.000 2.409 609 V HA 0.492 4.612 4.120 -0.000 0.000 0.290 609 V C -1.355 174.642 176.094 -0.162 0.000 1.017 609 V CA -0.416 61.730 62.300 -0.256 0.000 0.841 609 V CB 0.932 32.687 31.823 -0.113 0.000 1.003 609 V HN 0.843 nan 8.190 nan 0.000 0.426 610 F N 5.184 125.046 119.950 -0.147 0.000 2.377 610 F HA 0.672 5.199 4.527 -0.000 0.000 0.360 610 F C 0.722 176.530 175.800 0.013 0.000 1.147 610 F CA -0.776 57.239 58.000 0.026 0.000 1.170 610 F CB 0.449 39.578 39.000 0.215 0.000 1.339 610 F HN 0.548 nan 8.300 nan 0.000 0.552 611 A N 5.572 128.235 122.820 -0.262 0.000 2.276 611 A HA 0.640 4.960 4.320 -0.000 0.000 0.300 611 A C -0.999 176.378 177.584 -0.346 0.000 1.235 611 A CA -0.518 51.389 52.037 -0.216 0.000 0.867 611 A CB 0.359 19.283 19.000 -0.126 0.000 1.137 611 A HN 0.447 nan 8.150 nan 0.000 0.527 612 V N 3.857 123.623 119.914 -0.248 0.000 2.357 612 V HA 0.279 4.399 4.120 -0.000 0.000 0.284 612 V C 0.204 176.228 176.094 -0.117 0.000 1.018 612 V CA -0.671 61.493 62.300 -0.227 0.000 0.841 612 V CB 1.157 32.862 31.823 -0.197 0.000 0.991 612 V HN 0.952 nan 8.190 nan 0.000 0.437 613 N N 3.422 122.064 118.700 -0.098 0.000 2.485 613 N HA 0.550 5.289 4.740 -0.000 0.000 0.243 613 N C 0.843 176.341 175.510 -0.020 0.000 0.987 613 N CA 0.649 53.667 53.050 -0.054 0.000 0.940 613 N CB 1.058 39.517 38.487 -0.046 0.000 1.122 613 N HN 0.974 nan 8.380 nan 0.000 0.509 614 G N 3.342 112.139 108.800 -0.006 0.000 2.905 614 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.196 614 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.196 614 G C -0.398 174.535 174.900 0.055 0.000 1.044 614 G CA -0.623 44.493 45.100 0.027 0.000 0.778 614 G HN 0.531 nan 8.290 nan 0.000 0.474 615 F N 2.820 122.699 119.950 -0.119 0.000 2.404 615 F HA 0.694 5.221 4.527 -0.000 0.000 0.354 615 F C 0.559 176.222 175.800 -0.228 0.000 1.122 615 F CA 0.305 58.211 58.000 -0.157 0.000 1.080 615 F CB 1.426 40.315 39.000 -0.186 0.000 1.131 615 F HN 0.342 nan 8.300 nan 0.000 0.471 616 G N 4.066 112.330 108.800 -0.893 0.000 3.013 616 G HA2 0.339 4.298 3.960 -0.000 0.000 0.278 616 G HA3 0.339 4.298 3.960 -0.000 0.000 0.278 616 G C -0.654 173.543 174.900 -1.172 0.000 1.353 616 G CA -0.617 43.962 45.100 -0.869 0.000 1.043 616 G HN 0.558 nan 8.290 nan 0.000 0.523 617 F N 0.168 119.843 119.950 -0.459 0.000 2.530 617 F HA 0.236 4.762 4.527 -0.000 0.000 0.292 617 F C 2.712 178.395 175.800 -0.195 0.000 1.109 617 F CA 0.649 58.463 58.000 -0.310 0.000 1.450 617 F CB -0.022 38.895 39.000 -0.139 0.000 1.114 617 F HN 0.424 nan 8.300 nan 0.000 0.560 618 A N -0.178 122.626 122.820 -0.026 0.000 2.067 618 A HA 0.436 4.756 4.320 -0.000 0.000 0.219 618 A C 1.492 179.058 177.584 -0.030 0.000 1.158 618 A CA 1.473 53.494 52.037 -0.027 0.000 0.661 618 A CB -0.837 18.140 19.000 -0.039 0.000 0.801 618 A HN 0.438 nan 8.150 nan 0.000 0.452 619 G N -1.949 106.799 108.800 -0.088 0.000 2.367 619 G HA2 0.447 4.407 3.960 -0.000 0.000 0.272 619 G HA3 0.447 4.407 3.960 -0.000 0.000 0.272 619 G C -1.157 173.678 174.900 -0.107 0.000 1.271 619 G CA -0.816 44.251 45.100 -0.055 0.000 0.893 619 G HN 0.291 nan 8.290 nan 0.000 0.485 620 R N -0.966 119.522 120.500 -0.019 0.000 2.854 620 R HA 0.741 5.081 4.340 -0.000 0.000 0.271 620 R C -0.173 176.140 176.300 0.022 0.000 0.994 620 R CA 0.132 56.238 56.100 0.010 0.000 0.945 620 R CB 2.232 32.590 30.300 0.097 0.000 1.194 620 R HN 1.914 nan 8.270 nan 0.000 0.476 621 G N 0.296 109.112 108.800 0.028 0.000 2.345 621 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.310 621 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.310 621 G C -0.194 174.720 174.900 0.024 0.000 1.476 621 G CA -0.819 44.301 45.100 0.033 0.000 0.978 621 G HN 0.565 nan 8.290 nan 0.000 0.656 622 Q N -0.520 119.300 119.800 0.032 0.000 2.308 622 Q HA -0.199 4.140 4.340 -0.000 0.000 0.209 622 Q C 2.252 178.258 176.000 0.011 0.000 0.985 622 Q CA 1.719 57.536 55.803 0.024 0.000 0.881 622 Q CB -0.014 28.742 28.738 0.030 0.000 0.917 622 Q HN 0.501 nan 8.270 nan 0.000 0.443 623 N N -0.054 118.653 118.700 0.011 0.000 2.244 623 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 623 N C 0.019 175.523 175.510 -0.010 0.000 1.016 623 N CA 1.016 54.070 53.050 0.006 0.000 0.866 623 N CB 0.313 38.809 38.487 0.014 0.000 0.980 623 N HN 0.049 nan 8.380 nan 0.000 0.430 624 T N -1.478 113.061 114.554 -0.025 0.000 2.893 624 T HA 0.733 5.082 4.350 -0.000 0.000 0.291 624 T C -0.480 174.177 174.700 -0.070 0.000 1.028 624 T CA -0.412 61.656 62.100 -0.053 0.000 0.995 624 T CB 1.351 70.171 68.868 -0.081 0.000 1.051 624 T HN 0.215 nan 8.240 nan 0.000 0.470 625 G N 1.850 110.601 108.800 -0.083 0.000 2.727 625 G HA2 0.777 4.737 3.960 -0.000 0.000 0.289 625 G HA3 0.777 4.737 3.960 -0.000 0.000 0.289 625 G C -1.929 172.907 174.900 -0.107 0.000 1.418 625 G CA -0.606 44.441 45.100 -0.088 0.000 0.818 625 G HN 0.848 nan 8.290 nan 0.000 0.486 626 I N -0.446 120.067 120.570 -0.095 0.000 2.752 626 I HA 0.649 4.819 4.170 -0.000 0.000 0.295 626 I C -0.661 175.433 176.117 -0.039 0.000 1.219 626 I CA -0.866 60.388 61.300 -0.075 0.000 1.030 626 I CB 2.341 40.255 38.000 -0.144 0.000 1.259 626 I HN 0.760 nan 8.210 nan 0.000 0.423 627 A N 6.261 129.079 122.820 -0.003 0.000 2.323 627 A HA 0.552 4.872 4.320 -0.000 0.000 0.305 627 A C -1.278 176.306 177.584 0.001 0.000 1.275 627 A CA -0.314 51.728 52.037 0.007 0.000 0.804 627 A CB 0.353 19.373 19.000 0.034 0.000 1.152 627 A HN 0.520 nan 8.150 nan 0.000 0.487 628 F N 3.694 123.573 119.950 -0.118 0.000 2.420 628 F HA 0.530 5.057 4.527 -0.000 0.000 0.352 628 F C -0.299 175.341 175.800 -0.267 0.000 1.108 628 F CA -0.355 57.550 58.000 -0.159 0.000 1.162 628 F CB 1.253 40.248 39.000 -0.008 0.000 1.118 628 F HN 0.281 nan 8.300 nan 0.000 0.510 629 V N 5.629 124.889 119.914 -1.090 0.000 2.384 629 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 629 V C -0.345 175.161 176.094 -0.979 0.000 1.020 629 V CA -0.680 60.968 62.300 -1.087 0.000 0.850 629 V CB 1.333 32.175 31.823 -1.634 0.000 0.987 629 V HN 0.819 nan 8.190 nan 0.000 0.436 630 S N 5.919 121.274 115.700 -0.576 0.000 2.525 630 S HA 0.767 5.236 4.470 -0.000 0.000 0.290 630 S C -0.316 174.146 174.600 -0.230 0.000 1.152 630 S CA -0.523 57.477 58.200 -0.333 0.000 1.072 630 S CB 1.313 64.439 63.200 -0.125 0.000 1.027 630 S HN 0.493 nan 8.310 nan 0.000 0.500 631 L N 1.843 122.970 121.223 -0.160 0.000 2.304 631 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 631 L C 0.245 177.035 176.870 -0.134 0.000 1.010 631 L CA -1.278 53.496 54.840 -0.110 0.000 0.813 631 L CB 0.755 42.788 42.059 -0.043 0.000 1.315 631 L HN 0.383 nan 8.230 nan 0.000 0.445 632 K N 0.981 121.313 120.400 -0.114 0.000 2.295 632 K HA 0.129 4.449 4.320 -0.000 0.000 0.270 632 K C -0.837 175.610 176.600 -0.254 0.000 1.011 632 K CA -0.387 55.816 56.287 -0.141 0.000 0.953 632 K CB 0.419 32.868 32.500 -0.085 0.000 0.956 632 K HN 0.604 nan 8.250 nan 0.000 0.477 633 D N 0.031 120.211 120.400 -0.367 0.000 2.424 633 D HA -0.021 4.619 4.640 -0.000 0.000 0.244 633 D C 0.839 176.833 176.300 -0.509 0.000 1.134 633 D CA -0.593 52.953 54.000 -0.757 0.000 0.881 633 D CB 0.271 40.605 40.800 -0.776 0.000 1.191 633 D HN 0.582 nan 8.370 nan 0.000 0.445 634 W N 2.063 123.399 121.300 0.061 0.000 2.159 634 W HA -0.399 4.261 4.660 -0.000 0.000 0.334 634 W C 2.119 178.664 176.519 0.044 0.000 1.387 634 W CA 1.476 58.856 57.345 0.060 0.000 1.454 634 W CB -1.453 28.053 29.460 0.076 0.000 1.080 634 W HN 0.514 nan 8.180 nan 0.000 0.498 635 A N 0.481 123.437 122.820 0.226 0.000 2.032 635 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 635 A C 1.612 179.242 177.584 0.077 0.000 1.165 635 A CA 2.238 54.364 52.037 0.148 0.000 0.645 635 A CB -0.736 18.330 19.000 0.110 0.000 0.807 635 A HN 0.372 nan 8.150 nan 0.000 0.453 636 D N -1.207 119.215 120.400 0.036 0.000 2.355 636 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 636 D C 0.565 176.886 176.300 0.034 0.000 1.010 636 D CA 0.441 54.452 54.000 0.018 0.000 0.875 636 D CB 0.094 40.883 40.800 -0.018 0.000 0.966 636 D HN 0.363 nan 8.370 nan 0.000 0.512 637 R N 1.038 121.575 120.500 0.061 0.000 2.423 637 R HA 0.256 4.596 4.340 -0.000 0.000 0.293 637 R C -1.840 174.517 176.300 0.096 0.000 1.196 637 R CA -1.163 54.980 56.100 0.073 0.000 1.262 637 R CB 1.481 31.830 30.300 0.082 0.000 1.116 637 R HN 0.020 nan 8.270 nan 0.000 0.566 638 P HA -0.053 nan 4.420 nan 0.000 0.214 638 P C 0.843 178.183 177.300 0.066 0.000 1.167 638 P CA 0.588 63.731 63.100 0.072 0.000 0.882 638 P CB 0.215 31.947 31.700 0.052 0.000 0.777 639 G N 0.040 108.871 108.800 0.052 0.000 2.651 639 G HA2 0.002 3.962 3.960 -0.000 0.000 0.260 639 G HA3 0.002 3.962 3.960 -0.000 0.000 0.260 639 G C 0.773 175.702 174.900 0.048 0.000 1.216 639 G CA -0.242 44.885 45.100 0.043 0.000 0.913 639 G HN 0.004 nan 8.290 nan 0.000 0.535 640 E N 0.058 120.281 120.200 0.039 0.000 2.274 640 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 640 E C 2.415 179.034 176.600 0.031 0.000 0.996 640 E CA 0.783 57.205 56.400 0.037 0.000 0.840 640 E CB 0.108 29.825 29.700 0.029 0.000 0.772 640 E HN 0.812 nan 8.360 nan 0.000 0.491 641 E N 0.215 120.431 120.200 0.027 0.000 2.358 641 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 641 E C 0.740 177.357 176.600 0.028 0.000 1.010 641 E CA 0.651 57.065 56.400 0.023 0.000 0.856 641 E CB -0.127 29.584 29.700 0.018 0.000 0.795 641 E HN 0.030 nan 8.360 nan 0.000 0.504 642 N N 0.420 119.143 118.700 0.038 0.000 2.280 642 N HA 0.094 4.834 4.740 -0.000 0.000 0.192 642 N C -0.376 175.172 175.510 0.062 0.000 1.109 642 N CA 0.135 53.213 53.050 0.046 0.000 0.855 642 N CB 0.532 39.049 38.487 0.049 0.000 0.974 642 N HN 0.117 nan 8.380 nan 0.000 0.482 643 K N -0.387 120.050 120.400 0.061 0.000 2.095 643 K HA 0.258 4.578 4.320 -0.000 0.000 0.252 643 K C 1.005 177.622 176.600 0.029 0.000 0.977 643 K CA -0.572 55.762 56.287 0.078 0.000 0.900 643 K CB 1.873 34.427 32.500 0.091 0.000 1.060 643 K HN -0.293 nan 8.250 nan 0.000 0.449 644 V N 1.905 121.835 119.914 0.028 0.000 2.277 644 V HA -0.335 3.785 4.120 -0.000 0.000 0.255 644 V C 2.109 178.127 176.094 -0.126 0.000 1.074 644 V CA 1.847 64.094 62.300 -0.089 0.000 1.058 644 V CB -0.467 31.346 31.823 -0.015 0.000 0.656 644 V HN 0.758 nan 8.190 nan 0.000 0.449 645 E N 0.051 120.230 120.200 -0.035 0.000 2.072 645 E HA -0.337 4.013 4.350 -0.000 0.000 0.218 645 E C 2.331 178.910 176.600 -0.034 0.000 1.051 645 E CA 2.181 58.569 56.400 -0.020 0.000 0.880 645 E CB -0.712 28.994 29.700 0.010 0.000 0.783 645 E HN 0.627 nan 8.360 nan 0.000 0.473 646 A N 0.736 123.544 122.820 -0.021 0.000 1.898 646 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 646 A C 2.406 179.979 177.584 -0.018 0.000 1.181 646 A CA 1.341 53.372 52.037 -0.010 0.000 0.620 646 A CB -0.682 18.322 19.000 0.006 0.000 0.819 646 A HN 0.242 nan 8.150 nan 0.000 0.442 647 I N 0.616 121.156 120.570 -0.051 0.000 2.208 647 I HA -0.269 3.900 4.170 -0.000 0.000 0.245 647 I C 2.776 178.856 176.117 -0.061 0.000 1.097 647 I CA 1.890 63.167 61.300 -0.038 0.000 1.363 647 I CB -0.874 37.072 38.000 -0.090 0.000 1.051 647 I HN 0.518 nan 8.210 nan 0.000 0.413 648 T N -1.399 113.023 114.554 -0.221 0.000 2.857 648 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 648 T C 1.775 176.491 174.700 0.028 0.000 1.048 648 T CA 0.912 62.923 62.100 -0.149 0.000 1.139 648 T CB -0.256 68.495 68.868 -0.195 0.000 0.874 648 T HN 0.091 nan 8.240 nan 0.000 0.455 649 M N 2.057 121.664 119.600 0.011 0.000 2.200 649 M HA 0.188 4.668 4.480 -0.000 0.000 0.265 649 M C 2.353 178.669 176.300 0.027 0.000 1.066 649 M CA 1.033 56.350 55.300 0.028 0.000 1.127 649 M CB -0.403 32.206 32.600 0.015 0.000 1.379 649 M HN 0.467 nan 8.290 nan 0.000 0.420 650 R N -0.760 119.761 120.500 0.036 0.000 2.153 650 R HA 0.148 4.487 4.340 -0.000 0.000 0.218 650 R C 1.893 178.199 176.300 0.010 0.000 1.072 650 R CA 1.202 57.322 56.100 0.034 0.000 0.990 650 R CB -0.754 29.583 30.300 0.061 0.000 0.889 650 R HN 0.235 nan 8.270 nan 0.000 0.452 651 A N 1.831 124.691 122.820 0.067 0.000 1.841 651 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 651 A C 2.415 179.988 177.584 -0.018 0.000 1.195 651 A CA 1.994 54.008 52.037 -0.039 0.000 0.611 651 A CB -1.309 17.886 19.000 0.326 0.000 0.835 651 A HN 0.611 nan 8.150 nan 0.000 0.443 652 T N -0.909 113.718 114.554 0.121 0.000 2.665 652 T HA -0.310 4.040 4.350 -0.000 0.000 0.268 652 T C 1.993 176.699 174.700 0.009 0.000 1.035 652 T CA 1.802 63.966 62.100 0.107 0.000 1.151 652 T CB -0.530 68.373 68.868 0.059 0.000 0.862 652 T HN 0.586 nan 8.240 nan 0.000 0.438 653 R N 2.036 122.513 120.500 -0.038 0.000 2.096 653 R HA -0.022 4.318 4.340 -0.000 0.000 0.240 653 R C 2.601 178.818 176.300 -0.140 0.000 1.139 653 R CA 1.654 57.713 56.100 -0.069 0.000 0.952 653 R CB -0.892 29.378 30.300 -0.051 0.000 0.854 653 R HN 0.487 nan 8.270 nan 0.000 0.436 654 A N -0.708 121.940 122.820 -0.287 0.000 2.168 654 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 654 A C 1.322 178.525 177.584 -0.634 0.000 1.152 654 A CA 0.738 52.470 52.037 -0.508 0.000 0.716 654 A CB -0.229 18.291 19.000 -0.799 0.000 0.794 654 A HN 0.439 nan 8.150 nan 0.000 0.465 655 F N -0.637 119.180 119.950 -0.222 0.000 2.694 655 F HA 0.041 4.568 4.527 -0.000 0.000 0.292 655 F C 2.583 178.314 175.800 -0.114 0.000 1.121 655 F CA 0.623 58.516 58.000 -0.179 0.000 1.352 655 F CB -0.190 38.700 39.000 -0.183 0.000 1.107 655 F HN 0.247 nan 8.300 nan 0.000 0.597 656 S N -0.292 115.438 115.700 0.050 0.000 2.383 656 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 656 S C 1.568 176.163 174.600 -0.008 0.000 1.026 656 S CA 0.989 59.192 58.200 0.005 0.000 0.981 656 S CB -0.570 62.612 63.200 -0.030 0.000 0.818 656 S HN 0.470 nan 8.310 nan 0.000 0.472 657 Q N 0.674 120.460 119.800 -0.023 0.000 2.320 657 Q HA 0.394 4.734 4.340 -0.000 0.000 0.201 657 Q C 1.396 177.385 176.000 -0.019 0.000 0.910 657 Q CA 0.401 56.188 55.803 -0.025 0.000 0.946 657 Q CB -0.073 28.643 28.738 -0.036 0.000 1.062 657 Q HN 0.946 nan 8.270 nan 0.000 0.503 658 I N -5.140 115.427 120.570 -0.005 0.000 4.655 658 I HA 0.314 4.484 4.170 -0.000 0.000 0.333 658 I C -0.075 176.054 176.117 0.020 0.000 1.312 658 I CA -0.498 60.804 61.300 0.003 0.000 1.270 658 I CB 0.615 38.612 38.000 -0.004 0.000 1.318 658 I HN -0.239 nan 8.210 nan 0.000 0.456 659 K N 2.312 122.730 120.400 0.030 0.000 2.139 659 K HA 0.311 4.631 4.320 -0.000 0.000 0.243 659 K C -0.170 176.436 176.600 0.010 0.000 0.983 659 K CA -0.115 56.190 56.287 0.029 0.000 0.890 659 K CB 1.629 34.156 32.500 0.045 0.000 1.090 659 K HN 0.224 nan 8.250 nan 0.000 0.445 660 D N -1.576 118.827 120.400 0.006 0.000 2.379 660 D HA 0.172 4.812 4.640 -0.000 0.000 0.208 660 D C -0.113 176.188 176.300 0.001 0.000 1.065 660 D CA -0.266 53.734 54.000 0.001 0.000 0.848 660 D CB 0.515 41.314 40.800 -0.002 0.000 0.949 660 D HN 0.356 nan 8.370 nan 0.000 0.509 661 A N 0.165 122.985 122.820 -0.000 0.000 2.365 661 A HA 0.662 4.982 4.320 -0.000 0.000 0.318 661 A C -0.761 176.824 177.584 0.001 0.000 1.091 661 A CA -0.882 51.154 52.037 -0.001 0.000 0.763 661 A CB 1.256 20.250 19.000 -0.012 0.000 1.248 661 A HN 0.156 nan 8.150 nan 0.000 0.442 662 M N 2.380 121.992 119.600 0.021 0.000 2.184 662 M HA 0.397 4.876 4.480 -0.000 0.000 0.351 662 M C -1.045 175.291 176.300 0.060 0.000 1.395 662 M CA 0.163 55.487 55.300 0.039 0.000 1.117 662 M CB 0.348 32.999 32.600 0.085 0.000 1.708 662 M HN 0.301 nan 8.290 nan 0.000 0.468 663 V N 7.659 127.586 119.914 0.022 0.000 2.340 663 V HA 0.346 4.466 4.120 -0.000 0.000 0.277 663 V C -0.272 175.871 176.094 0.082 0.000 1.017 663 V CA -0.744 61.562 62.300 0.010 0.000 0.820 663 V CB 0.168 31.856 31.823 -0.226 0.000 1.028 663 V HN 0.722 nan 8.190 nan 0.000 0.436 664 F N 2.433 122.433 119.950 0.083 0.000 2.456 664 F HA 0.637 5.164 4.527 -0.000 0.000 0.306 664 F C 0.869 176.820 175.800 0.251 0.000 1.278 664 F CA 0.586 58.693 58.000 0.179 0.000 1.264 664 F CB 0.809 39.950 39.000 0.235 0.000 1.253 664 F HN 0.543 nan 8.300 nan 0.000 0.554 665 A N 1.572 124.737 122.820 0.576 0.000 2.532 665 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 665 A C -1.640 176.274 177.584 0.549 0.000 1.058 665 A CA -0.501 51.839 52.037 0.505 0.000 0.729 665 A CB 0.584 19.842 19.000 0.429 0.000 1.285 665 A HN 0.760 nan 8.150 nan 0.000 0.396 666 F N 0.607 120.754 119.950 0.329 0.000 2.779 666 F HA 0.810 5.337 4.527 -0.000 0.000 0.316 666 F C -0.875 175.093 175.800 0.281 0.000 1.164 666 F CA -1.048 57.094 58.000 0.237 0.000 0.924 666 F CB 1.016 40.143 39.000 0.213 0.000 1.348 666 F HN 0.588 nan 8.300 nan 0.000 0.467 667 N N 1.231 120.119 118.700 0.314 0.000 2.362 667 N HA 0.538 5.278 4.740 -0.000 0.000 0.299 667 N C -1.042 174.675 175.510 0.346 0.000 1.170 667 N CA -0.814 52.382 53.050 0.243 0.000 0.825 667 N CB 1.853 40.456 38.487 0.194 0.000 1.299 667 N HN 0.966 nan 8.380 nan 0.000 0.502 668 L N -1.685 119.699 121.223 0.268 0.000 2.453 668 L HA 0.400 4.739 4.340 -0.000 0.000 0.272 668 L C -2.089 174.897 176.870 0.194 0.000 1.182 668 L CA -1.549 53.444 54.840 0.255 0.000 0.858 668 L CB -0.771 41.424 42.059 0.226 0.000 1.120 668 L HN 0.316 nan 8.230 nan 0.000 0.474 669 P HA 0.092 nan 4.420 nan 0.000 0.271 669 P C 0.397 177.753 177.300 0.093 0.000 1.233 669 P CA -0.073 63.092 63.100 0.108 0.000 0.789 669 P CB 0.756 32.496 31.700 0.068 0.000 0.951 670 A N 1.358 124.226 122.820 0.079 0.000 1.849 670 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 670 A C 0.916 178.465 177.584 -0.057 0.000 1.202 670 A CA 1.580 53.674 52.037 0.095 0.000 0.629 670 A CB -1.361 17.717 19.000 0.130 0.000 0.834 670 A HN 0.519 nan 8.150 nan 0.000 0.447 671 I N 0.185 120.600 120.570 -0.258 0.000 2.325 671 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 671 I C 0.126 176.195 176.117 -0.081 0.000 1.019 671 I CA -0.056 61.071 61.300 -0.289 0.000 1.302 671 I CB 1.857 39.615 38.000 -0.404 0.000 1.401 671 I HN 0.001 nan 8.210 nan 0.000 0.485 672 V N 6.991 126.907 119.914 0.003 0.000 3.299 672 V HA 0.062 4.182 4.120 -0.000 0.000 0.369 672 V C 0.804 176.899 176.094 0.003 0.000 1.245 672 V CA 0.410 62.731 62.300 0.036 0.000 1.459 672 V CB -1.738 30.142 31.823 0.094 0.000 1.203 672 V HN 0.921 nan 8.190 nan 0.000 0.451 673 E N -1.288 118.896 120.200 -0.026 0.000 2.722 673 E HA 0.185 4.534 4.350 -0.000 0.000 0.179 673 E C -0.030 176.545 176.600 -0.041 0.000 0.918 673 E CA -0.298 56.085 56.400 -0.028 0.000 1.334 673 E CB 0.014 29.706 29.700 -0.012 0.000 1.064 673 E HN 0.468 nan 8.360 nan 0.000 0.513 674 L N 1.115 122.307 121.223 -0.053 0.000 2.468 674 L HA 0.534 4.874 4.340 -0.000 0.000 0.254 674 L C 1.110 177.969 176.870 -0.018 0.000 1.171 674 L CA -0.214 54.587 54.840 -0.066 0.000 0.809 674 L CB 0.682 42.695 42.059 -0.077 0.000 1.155 674 L HN 0.108 nan 8.230 nan 0.000 0.473 675 G N -1.107 107.697 108.800 0.006 0.000 2.543 675 G HA2 0.305 4.265 3.960 -0.000 0.000 0.290 675 G HA3 0.305 4.265 3.960 -0.000 0.000 0.290 675 G C 0.587 175.567 174.900 0.133 0.000 1.310 675 G CA 0.107 45.252 45.100 0.074 0.000 1.025 675 G HN 0.673 nan 8.290 nan 0.000 0.502 676 T N -2.974 111.640 114.554 0.101 0.000 3.272 676 T HA 0.428 4.778 4.350 -0.000 0.000 0.250 676 T C 1.670 176.408 174.700 0.063 0.000 1.082 676 T CA 1.067 63.203 62.100 0.060 0.000 0.968 676 T CB -0.250 68.612 68.868 -0.010 0.000 1.015 676 T HN 2.037 nan 8.240 nan 0.000 0.563 677 A N 1.188 124.108 122.820 0.166 0.000 1.888 677 A HA -0.298 4.022 4.320 -0.000 0.000 0.344 677 A C 1.460 178.999 177.584 -0.076 0.000 1.767 677 A CA 1.887 53.864 52.037 -0.100 0.000 1.063 677 A CB -2.321 16.487 19.000 -0.320 0.000 1.470 677 A HN 1.017 nan 8.150 nan 0.000 0.706 678 T N 1.150 115.653 114.554 -0.084 0.000 4.099 678 T HA 0.501 4.850 4.350 -0.000 0.000 0.223 678 T C 0.204 174.893 174.700 -0.019 0.000 0.968 678 T CA 1.429 63.500 62.100 -0.049 0.000 0.966 678 T CB -1.636 67.194 68.868 -0.063 0.000 1.328 678 T HN 2.052 nan 8.240 nan 0.000 0.783 679 G N 2.073 110.882 108.800 0.014 0.000 2.677 679 G HA2 0.626 4.586 3.960 -0.000 0.000 0.291 679 G HA3 0.626 4.586 3.960 -0.000 0.000 0.291 679 G C -1.464 173.477 174.900 0.068 0.000 1.435 679 G CA -0.995 44.082 45.100 -0.038 0.000 0.826 679 G HN 0.421 nan 8.290 nan 0.000 0.491 680 F N -0.841 119.153 119.950 0.073 0.000 2.640 680 F HA 0.870 5.397 4.527 -0.000 0.000 0.324 680 F C -1.513 174.422 175.800 0.225 0.000 1.077 680 F CA -1.872 56.204 58.000 0.127 0.000 0.965 680 F CB 2.436 41.507 39.000 0.118 0.000 1.351 680 F HN 0.358 nan 8.300 nan 0.000 0.487 681 D N 1.480 122.309 120.400 0.714 0.000 2.473 681 D HA 0.283 4.923 4.640 -0.000 0.000 0.253 681 D C -2.039 174.632 176.300 0.619 0.000 1.233 681 D CA -0.072 54.232 54.000 0.506 0.000 0.908 681 D CB 1.197 42.152 40.800 0.259 0.000 1.170 681 D HN 0.543 nan 8.370 nan 0.000 0.558 682 F N 2.307 122.442 119.950 0.308 0.000 2.480 682 F HA 0.557 5.083 4.527 -0.000 0.000 0.329 682 F C -0.540 175.142 175.800 -0.198 0.000 1.091 682 F CA -0.749 57.192 58.000 -0.099 0.000 0.972 682 F CB 1.765 40.661 39.000 -0.173 0.000 1.150 682 F HN 0.091 nan 8.300 nan 0.000 0.467 683 E N 5.140 124.773 120.200 -0.946 0.000 2.235 683 E HA 0.359 4.709 4.350 -0.000 0.000 0.252 683 E C -1.934 174.222 176.600 -0.739 0.000 0.886 683 E CA -0.606 55.371 56.400 -0.706 0.000 0.767 683 E CB 1.257 30.395 29.700 -0.937 0.000 1.205 683 E HN 0.653 nan 8.360 nan 0.000 0.421 684 L N 5.537 126.563 121.223 -0.329 0.000 2.305 684 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 684 L C -1.029 175.786 176.870 -0.092 0.000 1.085 684 L CA 0.073 54.836 54.840 -0.129 0.000 0.813 684 L CB 0.515 42.633 42.059 0.099 0.000 1.157 684 L HN 0.617 nan 8.230 nan 0.000 0.436 685 I N 3.375 123.903 120.570 -0.069 0.000 2.608 685 I HA 0.266 4.436 4.170 -0.000 0.000 0.295 685 I C -1.011 175.100 176.117 -0.010 0.000 1.049 685 I CA -0.845 60.433 61.300 -0.036 0.000 1.063 685 I CB 2.075 40.045 38.000 -0.049 0.000 1.248 685 I HN 0.495 nan 8.210 nan 0.000 0.424 686 D N 4.364 124.767 120.400 0.005 0.000 2.411 686 D HA 0.163 4.803 4.640 -0.000 0.000 0.225 686 D C 0.282 176.585 176.300 0.006 0.000 1.156 686 D CA 0.094 54.099 54.000 0.009 0.000 0.874 686 D CB 1.231 42.042 40.800 0.019 0.000 1.034 686 D HN 0.408 nan 8.370 nan 0.000 0.502 687 Q N 2.096 121.896 119.800 0.000 0.000 2.319 687 Q HA 0.372 4.712 4.340 -0.000 0.000 0.209 687 Q C 0.047 176.046 176.000 -0.001 0.000 0.884 687 Q CA -0.065 55.735 55.803 -0.005 0.000 0.938 687 Q CB 0.744 29.473 28.738 -0.015 0.000 1.098 687 Q HN 0.569 nan 8.270 nan 0.000 0.517 688 A N -1.696 121.126 122.820 0.004 0.000 3.540 688 A HA 0.685 5.005 4.320 -0.000 0.000 0.180 688 A C 1.176 178.766 177.584 0.010 0.000 1.231 688 A CA -0.006 52.035 52.037 0.006 0.000 0.873 688 A CB -0.504 18.500 19.000 0.006 0.000 1.548 688 A HN 0.219 nan 8.150 nan 0.000 0.570 689 G N -0.337 108.469 108.800 0.011 0.000 2.408 689 G HA2 0.157 4.117 3.960 -0.000 0.000 0.217 689 G HA3 0.157 4.117 3.960 -0.000 0.000 0.217 689 G C 0.767 175.678 174.900 0.019 0.000 1.150 689 G CA 0.786 45.894 45.100 0.014 0.000 0.776 689 G HN 1.016 nan 8.290 nan 0.000 0.542 690 L N 0.877 122.110 121.223 0.016 0.000 2.693 690 L HA 0.368 4.708 4.340 -0.000 0.000 0.292 690 L C 1.061 177.947 176.870 0.027 0.000 1.243 690 L CA -0.103 54.748 54.840 0.018 0.000 0.903 690 L CB -0.675 41.391 42.059 0.012 0.000 1.160 690 L HN 0.043 nan 8.230 nan 0.000 0.496 691 G N 0.332 109.154 108.800 0.036 0.000 2.508 691 G HA2 0.137 4.097 3.960 -0.000 0.000 0.278 691 G HA3 0.137 4.097 3.960 -0.000 0.000 0.278 691 G C 0.567 175.515 174.900 0.079 0.000 1.389 691 G CA 0.181 45.320 45.100 0.064 0.000 1.050 691 G HN 0.942 nan 8.290 nan 0.000 0.522 692 H N -0.886 118.196 119.070 0.020 0.000 2.289 692 H HA -0.184 4.372 4.556 -0.000 0.000 0.296 692 H C 2.272 177.611 175.328 0.019 0.000 1.091 692 H CA 2.715 58.776 56.048 0.022 0.000 1.274 692 H CB -0.015 29.763 29.762 0.027 0.000 1.364 692 H HN 0.647 nan 8.280 nan 0.000 0.490 693 E N -0.165 120.066 120.200 0.053 0.000 2.051 693 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 693 E C 2.147 178.714 176.600 -0.055 0.000 0.991 693 E CA 1.298 57.690 56.400 -0.014 0.000 0.799 693 E CB -0.038 29.693 29.700 0.052 0.000 0.748 693 E HN 0.264 nan 8.360 nan 0.000 0.449 694 K N 0.581 120.968 120.400 -0.022 0.000 2.103 694 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 694 K C 2.074 178.648 176.600 -0.043 0.000 1.048 694 K CA 0.858 57.132 56.287 -0.022 0.000 0.930 694 K CB -0.296 32.202 32.500 -0.002 0.000 0.716 694 K HN 0.182 nan 8.250 nan 0.000 0.444 695 L N 0.148 121.331 121.223 -0.066 0.000 2.056 695 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 695 L C 1.697 178.499 176.870 -0.113 0.000 1.078 695 L CA 1.703 56.496 54.840 -0.079 0.000 0.749 695 L CB -0.479 41.529 42.059 -0.085 0.000 0.901 695 L HN 0.327 nan 8.230 nan 0.000 0.433 696 T N -1.252 113.186 114.554 -0.193 0.000 2.746 696 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 696 T C 1.690 176.336 174.700 -0.090 0.000 1.039 696 T CA 1.414 63.411 62.100 -0.171 0.000 1.142 696 T CB -0.160 68.574 68.868 -0.223 0.000 0.866 696 T HN 0.260 nan 8.240 nan 0.000 0.444 697 Q N 0.841 120.598 119.800 -0.073 0.000 2.096 697 Q HA -0.052 4.288 4.340 -0.000 0.000 0.204 697 Q C 2.418 178.398 176.000 -0.034 0.000 0.982 697 Q CA 1.786 57.562 55.803 -0.045 0.000 0.850 697 Q CB -0.494 28.224 28.738 -0.034 0.000 0.901 697 Q HN 0.577 nan 8.270 nan 0.000 0.422 698 A N 0.328 123.130 122.820 -0.031 0.000 1.898 698 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 698 A C 2.027 179.603 177.584 -0.013 0.000 1.181 698 A CA 1.499 53.527 52.037 -0.015 0.000 0.620 698 A CB -0.633 18.364 19.000 -0.004 0.000 0.819 698 A HN 0.400 nan 8.150 nan 0.000 0.442 699 R N -0.017 120.473 120.500 -0.017 0.000 2.080 699 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 699 R C 1.713 178.000 176.300 -0.022 0.000 1.137 699 R CA 2.095 58.189 56.100 -0.011 0.000 0.943 699 R CB -0.479 29.812 30.300 -0.015 0.000 0.846 699 R HN 0.470 nan 8.270 nan 0.000 0.431 700 N N 0.729 119.412 118.700 -0.028 0.000 2.192 700 N HA -0.232 4.508 4.740 -0.000 0.000 0.188 700 N C 1.658 177.153 175.510 -0.025 0.000 1.013 700 N CA 1.434 54.468 53.050 -0.027 0.000 0.863 700 N CB -0.308 38.161 38.487 -0.031 0.000 0.990 700 N HN 0.467 nan 8.380 nan 0.000 0.430 701 Q N -0.221 119.565 119.800 -0.024 0.000 2.079 701 Q HA -0.057 4.283 4.340 -0.000 0.000 0.200 701 Q C 1.941 177.925 176.000 -0.028 0.000 0.974 701 Q CA 0.818 56.608 55.803 -0.022 0.000 0.840 701 Q CB -0.032 28.696 28.738 -0.017 0.000 0.898 701 Q HN 0.256 nan 8.270 nan 0.000 0.430 702 L N 0.244 121.443 121.223 -0.040 0.000 2.044 702 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 702 L C 1.969 178.799 176.870 -0.067 0.000 1.075 702 L CA 1.418 56.215 54.840 -0.073 0.000 0.747 702 L CB -0.348 41.643 42.059 -0.113 0.000 0.903 702 L HN 0.254 nan 8.230 nan 0.000 0.435 703 L N -0.437 120.758 121.223 -0.048 0.000 2.042 703 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 703 L C 2.668 179.528 176.870 -0.016 0.000 1.076 703 L CA 1.272 56.094 54.840 -0.030 0.000 0.749 703 L CB -0.992 41.056 42.059 -0.018 0.000 0.893 703 L HN 0.397 nan 8.230 nan 0.000 0.432 704 A N -0.749 122.061 122.820 -0.016 0.000 1.930 704 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 704 A C 2.247 179.828 177.584 -0.004 0.000 1.175 704 A CA 1.288 53.318 52.037 -0.012 0.000 0.627 704 A CB -0.286 18.704 19.000 -0.016 0.000 0.815 704 A HN 0.299 nan 8.150 nan 0.000 0.443 705 E N -0.109 120.093 120.200 0.002 0.000 2.152 705 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 705 E C 2.297 178.960 176.600 0.105 0.000 0.983 705 E CA 1.032 57.455 56.400 0.039 0.000 0.818 705 E CB -0.424 29.292 29.700 0.026 0.000 0.758 705 E HN 0.545 nan 8.360 nan 0.000 0.467 706 A N 1.172 124.020 122.820 0.046 0.000 1.972 706 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 706 A C 2.324 179.958 177.584 0.083 0.000 1.169 706 A CA 1.802 53.877 52.037 0.063 0.000 0.635 706 A CB -0.376 18.630 19.000 0.010 0.000 0.810 706 A HN 0.241 nan 8.150 nan 0.000 0.446 707 A N -0.853 121.990 122.820 0.038 0.000 2.119 707 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 707 A C 1.939 179.511 177.584 -0.019 0.000 1.153 707 A CA 1.712 53.757 52.037 0.013 0.000 0.692 707 A CB -0.282 18.716 19.000 -0.003 0.000 0.799 707 A HN 0.412 nan 8.150 nan 0.000 0.458 708 K N -0.078 120.293 120.400 -0.047 0.000 2.362 708 K HA -0.051 4.269 4.320 -0.000 0.000 0.200 708 K C -0.071 176.290 176.600 -0.399 0.000 1.046 708 K CA 0.816 56.971 56.287 -0.220 0.000 0.952 708 K CB -0.064 32.264 32.500 -0.286 0.000 0.753 708 K HN 0.629 nan 8.250 nan 0.000 0.466 709 H N -0.401 118.663 119.070 -0.011 0.000 2.418 709 H HA 0.147 4.702 4.556 -0.000 0.000 0.238 709 H C -2.113 173.215 175.328 0.001 0.000 1.403 709 H CA -1.722 54.322 56.048 -0.006 0.000 1.419 709 H CB 1.148 30.904 29.762 -0.009 0.000 1.463 709 H HN 0.100 nan 8.280 nan 0.000 0.515 710 P HA -0.106 nan 4.420 nan 0.000 0.229 710 P C 1.079 178.407 177.300 0.047 0.000 1.160 710 P CA 0.797 63.922 63.100 0.042 0.000 0.777 710 P CB 0.451 32.158 31.700 0.012 0.000 0.814 711 D N -1.229 119.206 120.400 0.058 0.000 2.277 711 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 711 D C 1.702 178.034 176.300 0.054 0.000 0.962 711 D CA 0.779 54.808 54.000 0.049 0.000 0.865 711 D CB -0.416 40.414 40.800 0.050 0.000 0.939 711 D HN 0.107 nan 8.370 nan 0.000 0.510 712 M N -0.267 119.377 119.600 0.074 0.000 2.800 712 M HA 0.318 4.798 4.480 -0.000 0.000 0.257 712 M C -0.230 176.115 176.300 0.075 0.000 1.309 712 M CA 0.655 55.990 55.300 0.058 0.000 1.202 712 M CB 0.425 33.045 32.600 0.034 0.000 1.273 712 M HN -0.100 nan 8.290 nan 0.000 0.528 713 L N -0.759 120.519 121.223 0.092 0.000 2.381 713 L HA 0.669 5.009 4.340 -0.000 0.000 0.268 713 L C -0.309 176.605 176.870 0.073 0.000 0.997 713 L CA -0.688 54.223 54.840 0.118 0.000 0.818 713 L CB 1.851 44.005 42.059 0.158 0.000 1.310 713 L HN -0.088 nan 8.230 nan 0.000 0.416 714 T N -0.621 113.958 114.554 0.042 0.000 2.900 714 T HA 0.402 4.751 4.350 -0.000 0.000 0.295 714 T C 0.209 174.897 174.700 -0.020 0.000 1.044 714 T CA 0.100 62.206 62.100 0.010 0.000 0.995 714 T CB 1.319 70.189 68.868 0.003 0.000 1.072 714 T HN 0.912 nan 8.240 nan 0.000 0.473 715 S N 1.241 116.935 115.700 -0.010 0.000 3.348 715 S HA -0.157 4.313 4.470 -0.000 0.000 0.366 715 S C 0.291 174.867 174.600 -0.040 0.000 0.953 715 S CA 0.522 58.714 58.200 -0.013 0.000 1.255 715 S CB -2.725 60.475 63.200 -0.001 0.000 0.906 715 S HN 1.532 nan 8.310 nan 0.000 0.495 716 V N 1.573 121.474 119.914 -0.021 0.000 2.470 716 V HA 0.706 4.826 4.120 -0.000 0.000 0.276 716 V C 0.150 176.245 176.094 0.001 0.000 1.040 716 V CA -0.001 62.291 62.300 -0.012 0.000 1.008 716 V CB 0.365 32.235 31.823 0.078 0.000 0.990 716 V HN 0.896 nan 8.190 nan 0.000 0.477 717 R N 6.023 126.522 120.500 -0.002 0.000 2.710 717 R HA 0.704 5.044 4.340 -0.000 0.000 0.270 717 R C -3.087 173.226 176.300 0.021 0.000 1.021 717 R CA -1.903 54.203 56.100 0.009 0.000 0.889 717 R CB 0.719 31.024 30.300 0.009 0.000 1.243 717 R HN 0.400 nan 8.270 nan 0.000 0.464 718 P HA 0.079 nan 4.420 nan 0.000 0.271 718 P C -0.659 176.656 177.300 0.025 0.000 1.218 718 P CA -0.169 62.952 63.100 0.034 0.000 0.780 718 P CB 0.973 32.691 31.700 0.029 0.000 0.901 719 N N 1.009 119.727 118.700 0.030 0.000 2.409 719 N HA 0.023 4.763 4.740 -0.000 0.000 0.174 719 N C 1.327 176.851 175.510 0.023 0.000 1.037 719 N CA 0.671 53.731 53.050 0.016 0.000 0.898 719 N CB -0.302 38.196 38.487 0.018 0.000 1.010 719 N HN 0.506 nan 8.380 nan 0.000 0.445 720 G N -0.139 108.683 108.800 0.037 0.000 2.679 720 G HA2 0.404 4.364 3.960 -0.000 0.000 0.202 720 G HA3 0.404 4.364 3.960 -0.000 0.000 0.202 720 G C -0.956 173.973 174.900 0.048 0.000 1.566 720 G CA -0.083 45.046 45.100 0.048 0.000 1.074 720 G HN 0.138 nan 8.290 nan 0.000 0.564 721 L N -0.837 120.425 121.223 0.065 0.000 2.408 721 L HA 0.488 4.827 4.340 -0.000 0.000 0.268 721 L C -0.456 176.467 176.870 0.089 0.000 0.986 721 L CA -0.864 54.016 54.840 0.068 0.000 0.820 721 L CB 1.989 44.086 42.059 0.065 0.000 1.303 721 L HN 0.349 nan 8.230 nan 0.000 0.411 722 E N 1.353 121.603 120.200 0.082 0.000 2.404 722 E HA 0.123 4.473 4.350 -0.000 0.000 0.261 722 E C -0.830 175.851 176.600 0.135 0.000 1.074 722 E CA -0.134 56.323 56.400 0.094 0.000 0.917 722 E CB 0.346 30.090 29.700 0.073 0.000 0.965 722 E HN 0.298 nan 8.360 nan 0.000 0.433 723 D N 1.139 121.637 120.400 0.163 0.000 2.458 723 D HA 0.058 4.698 4.640 -0.000 0.000 0.243 723 D C -0.022 176.475 176.300 0.328 0.000 1.146 723 D CA 0.400 54.538 54.000 0.230 0.000 0.877 723 D CB 0.365 41.306 40.800 0.234 0.000 1.176 723 D HN 0.380 nan 8.370 nan 0.000 0.461 724 T N -0.677 114.056 114.554 0.299 0.000 2.942 724 T HA 0.678 5.028 4.350 -0.000 0.000 0.289 724 T C -2.791 171.963 174.700 0.091 0.000 1.044 724 T CA -2.364 59.884 62.100 0.247 0.000 1.023 724 T CB 1.990 70.942 68.868 0.140 0.000 1.123 724 T HN -0.083 nan 8.240 nan 0.000 0.512 725 P HA 0.302 nan 4.420 nan 0.000 0.272 725 P C -0.956 176.461 177.300 0.194 0.000 1.223 725 P CA -0.294 62.692 63.100 -0.189 0.000 0.784 725 P CB 0.281 31.845 31.700 -0.227 0.000 0.923 726 Q N 0.589 120.537 119.800 0.247 0.000 2.391 726 Q HA 0.511 4.851 4.340 -0.000 0.000 0.279 726 Q C -1.743 174.100 176.000 -0.261 0.000 1.028 726 Q CA -0.808 55.031 55.803 0.060 0.000 0.836 726 Q CB 1.148 29.881 28.738 -0.008 0.000 1.414 726 Q HN 0.231 nan 8.270 nan 0.000 0.397 727 F N 2.255 121.729 119.950 -0.794 0.000 2.371 727 F HA 0.480 5.007 4.527 -0.000 0.000 0.363 727 F C -0.556 174.878 175.800 -0.610 0.000 1.122 727 F CA -0.466 56.854 58.000 -1.134 0.000 1.129 727 F CB 1.046 39.248 39.000 -1.331 0.000 1.173 727 F HN 0.575 nan 8.300 nan 0.000 0.489 728 K N 6.830 126.710 120.400 -0.867 0.000 2.185 728 K HA 0.566 4.886 4.320 -0.000 0.000 0.269 728 K C -1.468 174.702 176.600 -0.717 0.000 0.987 728 K CA -0.247 55.682 56.287 -0.597 0.000 0.865 728 K CB 0.746 33.029 32.500 -0.361 0.000 1.090 728 K HN 0.695 nan 8.250 nan 0.000 0.450 729 I N 3.879 124.153 120.570 -0.493 0.000 2.354 729 I HA 0.196 4.366 4.170 -0.000 0.000 0.286 729 I C -0.790 175.218 176.117 -0.180 0.000 1.007 729 I CA -0.787 60.293 61.300 -0.366 0.000 1.167 729 I CB 1.624 39.459 38.000 -0.275 0.000 1.320 729 I HN 0.658 nan 8.210 nan 0.000 0.458 730 D N 7.046 127.359 120.400 -0.145 0.000 2.295 730 D HA 0.291 4.931 4.640 -0.000 0.000 0.248 730 D C -0.180 176.123 176.300 0.005 0.000 1.154 730 D CA -0.176 53.784 54.000 -0.066 0.000 0.857 730 D CB 1.049 41.809 40.800 -0.067 0.000 1.117 730 D HN 0.196 nan 8.370 nan 0.000 0.468 731 I N 2.288 122.882 120.570 0.039 0.000 2.371 731 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 731 I C 0.534 176.686 176.117 0.059 0.000 1.028 731 I CA -0.190 61.169 61.300 0.098 0.000 1.345 731 I CB 0.757 38.803 38.000 0.077 0.000 1.407 731 I HN 0.398 nan 8.210 nan 0.000 0.501 732 D N 7.067 127.517 120.400 0.084 0.000 2.422 732 D HA 0.035 4.674 4.640 -0.000 0.000 0.227 732 D C 1.143 177.468 176.300 0.041 0.000 1.190 732 D CA -0.258 53.773 54.000 0.051 0.000 0.905 732 D CB 1.008 41.840 40.800 0.053 0.000 1.034 732 D HN 0.377 nan 8.370 nan 0.000 0.507 733 Q N 2.512 122.319 119.800 0.012 0.000 2.133 733 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 733 Q C 1.542 177.536 176.000 -0.009 0.000 0.991 733 Q CA 1.334 57.131 55.803 -0.011 0.000 0.867 733 Q CB -0.044 28.686 28.738 -0.015 0.000 0.911 733 Q HN 0.685 nan 8.270 nan 0.000 0.417 734 E N 0.826 121.028 120.200 0.003 0.000 2.058 734 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 734 E C 1.861 178.468 176.600 0.012 0.000 0.997 734 E CA 1.215 57.618 56.400 0.005 0.000 0.801 734 E CB 0.166 29.871 29.700 0.008 0.000 0.746 734 E HN 0.285 nan 8.360 nan 0.000 0.450 735 K N -0.105 120.313 120.400 0.031 0.000 2.097 735 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 735 K C 2.177 178.809 176.600 0.052 0.000 1.050 735 K CA 0.831 57.149 56.287 0.053 0.000 0.938 735 K CB -0.080 32.468 32.500 0.081 0.000 0.718 735 K HN 0.100 nan 8.250 nan 0.000 0.442 736 A N 1.853 124.688 122.820 0.024 0.000 1.908 736 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 736 A C 2.116 179.651 177.584 -0.082 0.000 1.181 736 A CA 1.417 53.402 52.037 -0.087 0.000 0.627 736 A CB -0.475 18.412 19.000 -0.188 0.000 0.818 736 A HN 0.304 nan 8.150 nan 0.000 0.445 737 Q N -0.832 118.938 119.800 -0.050 0.000 2.084 737 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 737 Q C 2.466 178.453 176.000 -0.022 0.000 0.978 737 Q CA 1.310 57.090 55.803 -0.039 0.000 0.844 737 Q CB -0.363 28.359 28.738 -0.027 0.000 0.898 737 Q HN 0.699 nan 8.270 nan 0.000 0.426 738 A N 0.845 123.661 122.820 -0.006 0.000 1.858 738 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 738 A C 2.039 179.628 177.584 0.008 0.000 1.190 738 A CA 1.164 53.204 52.037 0.005 0.000 0.617 738 A CB -0.716 18.293 19.000 0.015 0.000 0.827 738 A HN 0.294 nan 8.150 nan 0.000 0.443 739 L N -1.489 119.743 121.223 0.016 0.000 2.201 739 L HA 0.072 4.412 4.340 -0.000 0.000 0.212 739 L C 1.667 178.540 176.870 0.004 0.000 1.105 739 L CA 0.833 55.689 54.840 0.027 0.000 0.775 739 L CB -0.422 41.676 42.059 0.065 0.000 0.913 739 L HN 0.659 nan 8.230 nan 0.000 0.440 740 G N 0.417 109.203 108.800 -0.024 0.000 2.167 740 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.194 740 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.194 740 G C -0.019 174.842 174.900 -0.064 0.000 1.027 740 G CA -0.100 44.978 45.100 -0.036 0.000 0.717 740 G HN 0.202 nan 8.290 nan 0.000 0.501 741 V N -1.539 118.302 119.914 -0.123 0.000 2.472 741 V HA 0.868 4.988 4.120 -0.000 0.000 0.290 741 V C 0.863 176.837 176.094 -0.201 0.000 1.037 741 V CA -0.314 61.870 62.300 -0.193 0.000 0.908 741 V CB 1.637 33.233 31.823 -0.378 0.000 0.985 741 V HN 1.233 nan 8.190 nan 0.000 0.454 742 S N 3.350 118.957 115.700 -0.155 0.000 2.516 742 S HA 0.226 4.696 4.470 -0.000 0.000 0.282 742 S C 0.947 175.446 174.600 -0.168 0.000 1.286 742 S CA -0.371 57.753 58.200 -0.126 0.000 1.066 742 S CB -0.095 63.057 63.200 -0.079 0.000 0.884 742 S HN 0.640 nan 8.310 nan 0.000 0.491 743 I N 5.157 125.641 120.570 -0.144 0.000 2.423 743 I HA -0.177 3.993 4.170 -0.000 0.000 0.254 743 I C 1.908 177.969 176.117 -0.094 0.000 1.151 743 I CA 1.349 62.566 61.300 -0.138 0.000 1.421 743 I CB -0.580 37.364 38.000 -0.092 0.000 1.079 743 I HN 0.628 nan 8.210 nan 0.000 0.431 744 N N 0.424 119.084 118.700 -0.067 0.000 2.135 744 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 744 N C 1.522 177.015 175.510 -0.029 0.000 1.027 744 N CA 1.182 54.212 53.050 -0.034 0.000 0.849 744 N CB -0.261 38.213 38.487 -0.021 0.000 1.002 744 N HN 0.261 nan 8.380 nan 0.000 0.425 745 D N 0.683 121.053 120.400 -0.050 0.000 2.149 745 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 745 D C 1.895 178.176 176.300 -0.032 0.000 0.990 745 D CA 0.760 54.740 54.000 -0.032 0.000 0.839 745 D CB -0.171 40.600 40.800 -0.048 0.000 0.948 745 D HN 0.309 nan 8.370 nan 0.000 0.460 746 I N 1.142 121.638 120.570 -0.123 0.000 2.179 746 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 746 I C 2.073 178.232 176.117 0.071 0.000 1.088 746 I CA 0.808 62.027 61.300 -0.136 0.000 1.357 746 I CB -0.207 37.584 38.000 -0.348 0.000 1.051 746 I HN -0.046 nan 8.210 nan 0.000 0.409 747 N N 0.255 118.978 118.700 0.039 0.000 2.142 747 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 747 N C 2.026 177.588 175.510 0.087 0.000 1.023 747 N CA 2.095 55.188 53.050 0.072 0.000 0.852 747 N CB -0.512 37.996 38.487 0.036 0.000 0.998 747 N HN 0.454 nan 8.380 nan 0.000 0.424 748 T N -0.770 113.828 114.554 0.074 0.000 2.896 748 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 748 T C 2.056 176.812 174.700 0.092 0.000 1.050 748 T CA 1.810 63.955 62.100 0.076 0.000 1.140 748 T CB -0.639 68.264 68.868 0.059 0.000 0.877 748 T HN 0.299 nan 8.240 nan 0.000 0.457 749 T N 1.133 115.764 114.554 0.127 0.000 2.720 749 T HA -0.078 4.271 4.350 -0.000 0.000 0.268 749 T C 1.829 176.596 174.700 0.111 0.000 1.037 749 T CA 1.319 63.516 62.100 0.161 0.000 1.144 749 T CB -0.826 68.211 68.868 0.281 0.000 0.864 749 T HN 0.290 nan 8.240 nan 0.000 0.444 750 L N 2.346 123.695 121.223 0.209 0.000 1.961 750 L HA 0.233 4.573 4.340 -0.000 0.000 0.210 750 L C 2.763 179.693 176.870 0.099 0.000 1.072 750 L CA 2.304 57.221 54.840 0.128 0.000 0.749 750 L CB -1.435 40.705 42.059 0.134 0.000 0.889 750 L HN 0.338 nan 8.230 nan 0.000 0.432 751 G N -0.734 108.114 108.800 0.081 0.000 2.628 751 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.217 751 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.217 751 G C 1.606 176.554 174.900 0.081 0.000 1.240 751 G CA 1.638 46.786 45.100 0.080 0.000 0.792 751 G HN 0.737 nan 8.290 nan 0.000 0.593 752 A N 0.933 123.787 122.820 0.057 0.000 1.917 752 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 752 A C 2.838 180.408 177.584 -0.022 0.000 1.182 752 A CA 2.771 54.833 52.037 0.042 0.000 0.633 752 A CB -0.886 18.138 19.000 0.041 0.000 0.819 752 A HN 1.014 nan 8.150 nan 0.000 0.448 753 A N -1.409 121.312 122.820 -0.165 0.000 1.835 753 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 753 A C 1.941 179.342 177.584 -0.306 0.000 1.199 753 A CA 1.514 53.273 52.037 -0.464 0.000 0.615 753 A CB -0.884 17.317 19.000 -1.330 0.000 0.838 753 A HN 0.725 nan 8.150 nan 0.000 0.444 754 W N -1.063 120.093 121.300 -0.241 0.000 2.640 754 W HA 0.277 4.937 4.660 -0.000 0.000 0.268 754 W C 2.342 178.841 176.519 -0.034 0.000 1.263 754 W CA 0.766 58.036 57.345 -0.124 0.000 1.344 754 W CB -0.223 29.142 29.460 -0.159 0.000 1.093 754 W HN 0.389 nan 8.180 nan 0.000 0.603 755 G N -1.034 107.879 108.800 0.187 0.000 2.724 755 G HA2 0.447 4.407 3.960 -0.000 0.000 0.205 755 G HA3 0.447 4.407 3.960 -0.000 0.000 0.205 755 G C 0.579 175.569 174.900 0.149 0.000 1.112 755 G CA 0.430 45.620 45.100 0.150 0.000 0.793 755 G HN 0.392 nan 8.290 nan 0.000 0.526 756 G N -1.278 107.605 108.800 0.138 0.000 2.629 756 G HA2 0.337 4.297 3.960 -0.000 0.000 0.686 756 G HA3 0.337 4.297 3.960 -0.000 0.000 0.686 756 G C -0.664 174.361 174.900 0.209 0.000 1.232 756 G CA 0.080 45.283 45.100 0.171 0.000 0.803 756 G HN 1.124 nan 8.290 nan 0.000 0.638 757 S N -0.599 115.239 115.700 0.230 0.000 2.668 757 S HA 0.540 5.010 4.470 -0.000 0.000 0.277 757 S C -0.902 173.752 174.600 0.089 0.000 1.170 757 S CA -0.487 57.813 58.200 0.167 0.000 0.994 757 S CB 1.036 64.287 63.200 0.085 0.000 1.051 757 S HN 1.750 nan 8.310 nan 0.000 0.484 758 Y N 6.551 126.731 120.300 -0.200 0.000 2.585 758 Y HA 0.413 4.963 4.550 -0.000 0.000 0.354 758 Y C 0.580 176.311 175.900 -0.281 0.000 1.024 758 Y CA -0.041 57.699 58.100 -0.599 0.000 1.321 758 Y CB -0.005 38.049 38.460 -0.677 0.000 1.151 758 Y HN 0.429 nan 8.280 nan 0.000 0.525 759 V N 5.372 125.019 119.914 -0.445 0.000 2.326 759 V HA 0.007 4.127 4.120 -0.000 0.000 0.238 759 V C 0.676 176.473 176.094 -0.494 0.000 1.038 759 V CA 1.200 63.285 62.300 -0.358 0.000 1.032 759 V CB -0.467 31.272 31.823 -0.140 0.000 0.675 759 V HN 0.760 nan 8.190 nan 0.000 0.467 760 N N -1.340 117.143 118.700 -0.361 0.000 3.102 760 N HA 0.374 5.114 4.740 -0.000 0.000 0.299 760 N C -1.749 173.784 175.510 0.038 0.000 1.482 760 N CA -0.802 52.145 53.050 -0.171 0.000 0.785 760 N CB 1.932 40.438 38.487 0.032 0.000 1.680 760 N HN 0.127 nan 8.380 nan 0.000 0.594 761 D N 0.343 120.835 120.400 0.153 0.000 2.342 761 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 761 D C -1.121 175.404 176.300 0.374 0.000 1.019 761 D CA -0.161 54.009 54.000 0.283 0.000 0.864 761 D CB 1.595 42.511 40.800 0.194 0.000 1.315 761 D HN 0.353 nan 8.370 nan 0.000 0.468 762 F N -1.103 118.949 119.950 0.171 0.000 2.664 762 F HA 0.700 5.227 4.527 -0.000 0.000 0.329 762 F C -1.077 174.807 175.800 0.140 0.000 1.090 762 F CA -1.191 56.931 58.000 0.204 0.000 0.978 762 F CB 1.172 40.403 39.000 0.385 0.000 1.378 762 F HN 0.091 nan 8.300 nan 0.000 0.495 763 I N 1.924 122.365 120.570 -0.216 0.000 2.428 763 I HA 0.195 4.364 4.170 -0.000 0.000 0.279 763 I C -1.317 174.592 176.117 -0.347 0.000 1.040 763 I CA -0.392 60.723 61.300 -0.309 0.000 1.171 763 I CB 0.946 38.898 38.000 -0.078 0.000 1.312 763 I HN 0.536 nan 8.210 nan 0.000 0.470 764 D N 7.125 127.173 120.400 -0.587 0.000 2.339 764 D HA 0.221 4.861 4.640 -0.000 0.000 0.241 764 D C 0.245 176.502 176.300 -0.072 0.000 1.183 764 D CA -0.133 53.716 54.000 -0.252 0.000 0.859 764 D CB 0.480 41.145 40.800 -0.225 0.000 1.067 764 D HN 0.382 nan 8.370 nan 0.000 0.484 765 R N 3.297 123.803 120.500 0.010 0.000 3.127 765 R HA -0.171 4.169 4.340 -0.000 0.000 0.247 765 R C 0.999 177.295 176.300 -0.007 0.000 0.896 765 R CA 0.457 56.573 56.100 0.026 0.000 0.624 765 R CB -2.246 28.089 30.300 0.059 0.000 1.154 765 R HN 0.867 nan 8.270 nan 0.000 0.474 766 G N -0.018 108.771 108.800 -0.019 0.000 2.179 766 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.257 766 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.257 766 G C 0.057 174.926 174.900 -0.052 0.000 1.010 766 G CA 0.712 45.795 45.100 -0.028 0.000 0.736 766 G HN 0.539 nan 8.290 nan 0.000 0.513 767 R N -0.892 119.556 120.500 -0.087 0.000 2.538 767 R HA 0.489 4.829 4.340 -0.000 0.000 0.292 767 R C -0.188 176.010 176.300 -0.170 0.000 1.008 767 R CA -0.742 55.295 56.100 -0.104 0.000 0.896 767 R CB 2.427 32.676 30.300 -0.086 0.000 1.187 767 R HN 0.288 nan 8.270 nan 0.000 0.440 768 V N 4.249 124.090 119.914 -0.122 0.000 2.529 768 V HA 0.193 4.313 4.120 -0.000 0.000 0.292 768 V C -0.608 175.415 176.094 -0.118 0.000 1.028 768 V CA 0.787 63.014 62.300 -0.121 0.000 1.074 768 V CB 0.298 32.095 31.823 -0.042 0.000 0.958 768 V HN 0.678 nan 8.190 nan 0.000 0.481 769 K N 5.284 125.588 120.400 -0.160 0.000 2.532 769 K HA 0.506 4.826 4.320 -0.000 0.000 0.265 769 K C -1.045 175.688 176.600 0.221 0.000 0.948 769 K CA -0.984 55.288 56.287 -0.025 0.000 0.842 769 K CB 2.449 34.891 32.500 -0.097 0.000 1.392 769 K HN 0.578 nan 8.250 nan 0.000 0.436 770 K N 0.814 121.383 120.400 0.282 0.000 2.180 770 K HA 0.329 4.649 4.320 -0.000 0.000 0.251 770 K C -0.496 176.346 176.600 0.403 0.000 1.014 770 K CA -0.471 56.028 56.287 0.354 0.000 0.913 770 K CB 0.851 33.445 32.500 0.157 0.000 1.008 770 K HN 0.159 nan 8.250 nan 0.000 0.490 771 V N 2.880 122.964 119.914 0.283 0.000 2.443 771 V HA 0.251 4.371 4.120 -0.000 0.000 0.293 771 V C -1.311 174.770 176.094 -0.022 0.000 1.021 771 V CA -0.846 61.487 62.300 0.056 0.000 0.848 771 V CB 0.465 32.299 31.823 0.018 0.000 0.998 771 V HN 0.577 nan 8.190 nan 0.000 0.424 772 Y N 2.775 123.056 120.300 -0.031 0.000 2.377 772 Y HA 0.649 5.199 4.550 -0.000 0.000 0.339 772 Y C 0.036 175.835 175.900 -0.169 0.000 1.011 772 Y CA -0.732 57.342 58.100 -0.043 0.000 1.093 772 Y CB 2.250 40.674 38.460 -0.060 0.000 1.201 772 Y HN 0.416 nan 8.280 nan 0.000 0.455 773 V N 6.079 126.015 119.914 0.036 0.000 2.417 773 V HA 0.614 4.734 4.120 -0.000 0.000 0.291 773 V C -0.735 175.355 176.094 -0.007 0.000 1.024 773 V CA -0.439 61.843 62.300 -0.030 0.000 0.861 773 V CB 1.195 33.021 31.823 0.005 0.000 0.985 773 V HN 0.902 nan 8.190 nan 0.000 0.436 774 M N 4.487 124.044 119.600 -0.071 0.000 2.578 774 M HA 0.425 4.905 4.480 -0.000 0.000 0.276 774 M C -0.435 175.968 176.300 0.172 0.000 1.245 774 M CA -0.449 54.865 55.300 0.023 0.000 0.871 774 M CB 2.487 35.087 32.600 0.001 0.000 1.722 774 M HN 0.646 nan 8.290 nan 0.000 0.473 775 S N 1.375 117.185 115.700 0.183 0.000 2.562 775 S HA 0.089 4.559 4.470 -0.000 0.000 0.281 775 S C -0.213 174.658 174.600 0.452 0.000 1.333 775 S CA -0.027 58.368 58.200 0.324 0.000 1.052 775 S CB 0.523 63.830 63.200 0.179 0.000 0.884 775 S HN 0.715 nan 8.310 nan 0.000 0.506 776 E N 2.540 123.019 120.200 0.465 0.000 2.437 776 E HA 0.229 4.578 4.350 -0.000 0.000 0.263 776 E C 1.356 177.999 176.600 0.071 0.000 1.030 776 E CA 0.297 56.863 56.400 0.277 0.000 0.934 776 E CB 0.527 30.424 29.700 0.328 0.000 0.943 776 E HN 0.787 nan 8.360 nan 0.000 0.444 777 A N 5.163 127.860 122.820 -0.206 0.000 1.884 777 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 777 A C 1.770 179.220 177.584 -0.223 0.000 1.197 777 A CA 2.360 54.254 52.037 -0.239 0.000 0.637 777 A CB -0.646 18.152 19.000 -0.336 0.000 0.827 777 A HN 0.778 nan 8.150 nan 0.000 0.450 778 K N -1.719 118.480 120.400 -0.335 0.000 2.555 778 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 778 K C 0.245 176.488 176.600 -0.594 0.000 1.032 778 K CA 1.112 57.112 56.287 -0.478 0.000 1.004 778 K CB -0.343 31.810 32.500 -0.579 0.000 0.804 778 K HN 0.627 nan 8.250 nan 0.000 0.496 779 Y N 1.171 121.409 120.300 -0.103 0.000 2.612 779 Y HA 0.253 4.803 4.550 -0.000 0.000 0.250 779 Y C 0.319 176.089 175.900 -0.217 0.000 1.175 779 Y CA -0.909 57.140 58.100 -0.084 0.000 1.205 779 Y CB 0.847 39.281 38.460 -0.044 0.000 1.201 779 Y HN 0.108 nan 8.280 nan 0.000 0.532 780 R N -1.628 118.678 120.500 -0.324 0.000 2.617 780 R HA 0.315 4.655 4.340 -0.000 0.000 0.432 780 R C -0.017 176.109 176.300 -0.291 0.000 1.018 780 R CA -0.023 55.505 56.100 -0.953 0.000 1.077 780 R CB -0.127 29.604 30.300 -0.949 0.000 1.394 780 R HN 0.082 nan 8.270 nan 0.000 0.608 781 M N 0.317 119.880 119.600 -0.060 0.000 2.751 781 M HA 0.329 4.809 4.480 -0.000 0.000 0.252 781 M C 0.575 176.965 176.300 0.150 0.000 1.264 781 M CA 0.725 56.056 55.300 0.052 0.000 1.237 781 M CB -0.161 32.424 32.600 -0.026 0.000 1.242 781 M HN 0.171 nan 8.290 nan 0.000 0.525 782 L N -0.238 121.073 121.223 0.147 0.000 2.330 782 L HA 0.298 4.637 4.340 -0.000 0.000 0.271 782 L C -1.547 175.365 176.870 0.070 0.000 1.013 782 L CA -1.917 52.973 54.840 0.083 0.000 0.816 782 L CB 1.161 43.244 42.059 0.039 0.000 1.287 782 L HN -0.074 nan 8.230 nan 0.000 0.435 783 P HA -0.185 nan 4.420 nan 0.000 0.217 783 P C 0.359 177.591 177.300 -0.113 0.000 1.148 783 P CA 1.261 64.062 63.100 -0.498 0.000 0.834 783 P CB 0.139 31.394 31.700 -0.742 0.000 0.783 784 D N -1.374 119.027 120.400 0.001 0.000 2.350 784 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 784 D C 1.183 177.559 176.300 0.128 0.000 0.968 784 D CA 0.899 54.936 54.000 0.061 0.000 0.894 784 D CB -0.631 40.198 40.800 0.049 0.000 0.909 784 D HN 0.222 nan 8.370 nan 0.000 0.520 785 D N -0.153 120.384 120.400 0.228 0.000 2.323 785 D HA -0.008 4.632 4.640 -0.000 0.000 0.209 785 D C 2.000 178.620 176.300 0.533 0.000 0.973 785 D CA 0.000 54.203 54.000 0.338 0.000 0.874 785 D CB 0.097 41.096 40.800 0.332 0.000 0.930 785 D HN 0.166 nan 8.370 nan 0.000 0.521 786 I N 1.117 121.973 120.570 0.476 0.000 2.315 786 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 786 I C 2.271 178.516 176.117 0.214 0.000 1.125 786 I CA 1.174 62.653 61.300 0.299 0.000 1.392 786 I CB -1.271 36.684 38.000 -0.074 0.000 1.065 786 I HN 0.017 nan 8.210 nan 0.000 0.424 787 G N 0.243 109.133 108.800 0.150 0.000 2.625 787 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 787 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 787 G C 1.146 176.057 174.900 0.018 0.000 1.132 787 G CA 0.239 45.373 45.100 0.056 0.000 0.782 787 G HN 0.374 nan 8.290 nan 0.000 0.538 788 D N -0.369 120.062 120.400 0.051 0.000 2.277 788 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 788 D C 0.142 176.325 176.300 -0.195 0.000 0.962 788 D CA 0.256 54.181 54.000 -0.125 0.000 0.865 788 D CB 0.102 40.693 40.800 -0.348 0.000 0.939 788 D HN 0.410 nan 8.370 nan 0.000 0.510 789 W N 0.785 122.155 121.300 0.117 0.000 2.335 789 W HA 0.344 5.004 4.660 -0.000 0.000 0.307 789 W C -0.315 176.349 176.519 0.241 0.000 1.117 789 W CA -0.713 56.777 57.345 0.243 0.000 1.228 789 W CB 0.308 29.938 29.460 0.282 0.000 1.240 789 W HN -0.210 nan 8.180 nan 0.000 0.468 790 Y N 1.929 122.501 120.300 0.453 0.000 2.409 790 Y HA 0.596 5.146 4.550 -0.000 0.000 0.339 790 Y C 0.138 176.233 175.900 0.326 0.000 1.033 790 Y CA -1.239 57.064 58.100 0.338 0.000 1.094 790 Y CB 1.412 39.975 38.460 0.173 0.000 1.210 790 Y HN -0.027 nan 8.280 nan 0.000 0.456 791 V N 3.129 123.269 119.914 0.377 0.000 2.581 791 V HA 0.471 4.591 4.120 -0.000 0.000 0.303 791 V C -0.362 175.833 176.094 0.169 0.000 1.041 791 V CA -1.264 61.165 62.300 0.216 0.000 0.907 791 V CB 1.725 33.568 31.823 0.033 0.000 0.994 791 V HN 0.673 nan 8.190 nan 0.000 0.442 792 R N 2.681 123.249 120.500 0.113 0.000 2.265 792 R HA 0.661 5.001 4.340 -0.000 0.000 0.314 792 R C 0.111 176.430 176.300 0.031 0.000 1.053 792 R CA -0.017 56.132 56.100 0.082 0.000 0.931 792 R CB 0.934 31.277 30.300 0.072 0.000 1.024 792 R HN 0.939 nan 8.270 nan 0.000 0.457 793 A N 3.373 126.213 122.820 0.032 0.000 2.272 793 A HA 0.468 4.788 4.320 -0.000 0.000 0.275 793 A C 1.166 178.751 177.584 0.002 0.000 1.096 793 A CA 0.157 52.195 52.037 0.003 0.000 0.822 793 A CB 0.490 19.501 19.000 0.017 0.000 1.088 793 A HN 1.000 nan 8.150 nan 0.000 0.495 794 A N 0.385 123.199 122.820 -0.010 0.000 1.917 794 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 794 A C 1.368 178.954 177.584 0.003 0.000 1.182 794 A CA 2.319 54.352 52.037 -0.007 0.000 0.633 794 A CB -0.979 18.014 19.000 -0.012 0.000 0.819 794 A HN 0.921 nan 8.150 nan 0.000 0.448 795 D N -1.981 118.423 120.400 0.007 0.000 2.378 795 D HA 0.278 4.918 4.640 -0.000 0.000 0.227 795 D C 1.140 177.449 176.300 0.016 0.000 1.012 795 D CA 0.967 54.973 54.000 0.011 0.000 0.905 795 D CB -0.715 40.092 40.800 0.012 0.000 0.895 795 D HN 0.915 nan 8.370 nan 0.000 0.532 796 G N 0.045 108.856 108.800 0.019 0.000 2.141 796 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 796 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 796 G C -0.086 174.832 174.900 0.031 0.000 0.982 796 G CA 0.213 45.327 45.100 0.024 0.000 0.662 796 G HN 0.708 nan 8.290 nan 0.000 0.527 797 Q N -0.227 119.595 119.800 0.036 0.000 2.306 797 Q HA 0.831 5.171 4.340 -0.000 0.000 0.265 797 Q C 0.133 176.178 176.000 0.074 0.000 1.022 797 Q CA -1.345 54.484 55.803 0.044 0.000 0.853 797 Q CB 1.419 30.180 28.738 0.039 0.000 1.327 797 Q HN 0.111 nan 8.270 nan 0.000 0.449 798 M N 2.177 121.826 119.600 0.082 0.000 2.185 798 M HA 0.349 4.829 4.480 -0.000 0.000 0.357 798 M C -0.831 175.638 176.300 0.281 0.000 1.260 798 M CA -0.563 54.834 55.300 0.162 0.000 1.124 798 M CB 0.975 33.619 32.600 0.072 0.000 1.600 798 M HN 0.537 nan 8.290 nan 0.000 0.467 799 V N 6.056 126.187 119.914 0.361 0.000 2.487 799 V HA 0.482 4.601 4.120 -0.000 0.000 0.298 799 V C -2.097 174.163 176.094 0.278 0.000 1.028 799 V CA -1.479 61.023 62.300 0.336 0.000 0.860 799 V CB 2.134 34.134 31.823 0.294 0.000 0.991 799 V HN 0.665 nan 8.190 nan 0.000 0.427 800 P HA 0.284 nan 4.420 nan 0.000 0.276 800 P C 0.644 177.673 177.300 -0.452 0.000 1.252 800 P CA -0.294 62.568 63.100 -0.397 0.000 0.802 800 P CB 1.056 32.511 31.700 -0.408 0.000 1.035 801 F N 0.632 120.241 119.950 -0.569 0.000 2.161 801 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 801 F C 2.731 178.010 175.800 -0.868 0.000 1.089 801 F CA 2.350 59.794 58.000 -0.926 0.000 1.282 801 F CB -0.747 38.054 39.000 -0.332 0.000 1.010 801 F HN 0.309 nan 8.300 nan 0.000 0.485 802 S N 0.077 115.605 115.700 -0.287 0.000 2.419 802 S HA -0.234 4.235 4.470 -0.000 0.000 0.235 802 S C 2.086 176.550 174.600 -0.227 0.000 1.019 802 S CA 0.866 58.951 58.200 -0.191 0.000 0.982 802 S CB -0.838 62.307 63.200 -0.092 0.000 0.789 802 S HN 0.303 nan 8.310 nan 0.000 0.490 803 A N 1.287 123.912 122.820 -0.325 0.000 1.968 803 A HA 0.263 4.583 4.320 -0.000 0.000 0.217 803 A C 1.787 179.320 177.584 -0.084 0.000 1.169 803 A CA 1.073 53.016 52.037 -0.158 0.000 0.638 803 A CB -0.626 18.341 19.000 -0.055 0.000 0.812 803 A HN 0.904 nan 8.150 nan 0.000 0.446 804 F N -1.620 118.306 119.950 -0.041 0.000 2.746 804 F HA 0.404 4.931 4.527 -0.000 0.000 0.320 804 F C 0.432 176.208 175.800 -0.040 0.000 1.097 804 F CA -0.040 57.926 58.000 -0.056 0.000 1.195 804 F CB -0.058 38.880 39.000 -0.103 0.000 1.056 804 F HN 0.100 nan 8.300 nan 0.000 0.562 805 S N 0.852 116.479 115.700 -0.122 0.000 2.548 805 S HA 0.777 5.247 4.470 -0.000 0.000 0.286 805 S C -0.484 174.094 174.600 -0.038 0.000 1.098 805 S CA -0.001 58.207 58.200 0.014 0.000 0.930 805 S CB 1.977 65.256 63.200 0.132 0.000 1.070 805 S HN 0.448 nan 8.310 nan 0.000 0.480 806 S N 1.181 116.861 115.700 -0.033 0.000 2.726 806 S HA 0.948 5.418 4.470 -0.000 0.000 0.308 806 S C -0.424 174.097 174.600 -0.132 0.000 1.115 806 S CA -0.399 57.763 58.200 -0.062 0.000 0.965 806 S CB 1.283 64.454 63.200 -0.049 0.000 1.145 806 S HN 1.820 nan 8.310 nan 0.000 0.532 807 S N -0.120 115.473 115.700 -0.178 0.000 2.579 807 S HA 0.879 5.349 4.470 -0.000 0.000 0.272 807 S C -0.956 173.432 174.600 -0.353 0.000 1.141 807 S CA -1.134 56.824 58.200 -0.403 0.000 0.843 807 S CB 1.783 64.597 63.200 -0.644 0.000 1.122 807 S HN 1.320 nan 8.310 nan 0.000 0.468 808 R N -0.261 119.923 120.500 -0.526 0.000 2.712 808 R HA 0.499 4.839 4.340 -0.000 0.000 0.272 808 R C -2.063 174.019 176.300 -0.363 0.000 1.032 808 R CA -1.014 54.922 56.100 -0.274 0.000 0.874 808 R CB 0.312 30.554 30.300 -0.097 0.000 1.256 808 R HN 0.624 nan 8.270 nan 0.000 0.468 809 W N 1.258 122.513 121.300 -0.076 0.000 2.283 809 W HA 0.392 5.051 4.660 -0.000 0.000 0.341 809 W C 0.084 176.553 176.519 -0.083 0.000 1.206 809 W CA 0.559 57.874 57.345 -0.050 0.000 1.294 809 W CB 1.016 30.470 29.460 -0.010 0.000 1.154 809 W HN 0.730 nan 8.180 nan 0.000 0.613 810 E N 0.117 120.405 120.200 0.148 0.000 2.396 810 E HA 0.254 4.604 4.350 -0.000 0.000 0.280 810 E C -2.105 174.501 176.600 0.011 0.000 1.065 810 E CA -1.099 55.344 56.400 0.072 0.000 0.831 810 E CB 0.867 30.588 29.700 0.036 0.000 1.272 810 E HN 0.328 nan 8.360 nan 0.000 0.443 811 Y N 0.479 120.841 120.300 0.103 0.000 2.365 811 Y HA 0.593 5.143 4.550 -0.000 0.000 0.340 811 Y C 0.811 176.745 175.900 0.056 0.000 1.016 811 Y CA 0.880 59.035 58.100 0.092 0.000 1.196 811 Y CB 1.880 40.390 38.460 0.083 0.000 1.167 811 Y HN 0.697 nan 8.280 nan 0.000 0.509 812 G N 0.675 109.577 108.800 0.171 0.000 3.042 812 G HA2 0.449 4.409 3.960 -0.000 0.000 0.278 812 G HA3 0.449 4.409 3.960 -0.000 0.000 0.278 812 G C -1.318 173.614 174.900 0.054 0.000 1.371 812 G CA -0.950 44.191 45.100 0.068 0.000 1.009 812 G HN 0.440 nan 8.290 nan 0.000 0.523 813 S N 0.092 115.751 115.700 -0.069 0.000 2.442 813 S HA 0.556 5.026 4.470 -0.000 0.000 0.297 813 S C -1.488 173.099 174.600 -0.021 0.000 1.131 813 S CA -1.564 56.593 58.200 -0.072 0.000 1.092 813 S CB 1.875 64.881 63.200 -0.323 0.000 0.998 813 S HN 0.328 nan 8.310 nan 0.000 0.478 814 P HA 0.117 nan 4.420 nan 0.000 0.249 814 P C -0.152 177.170 177.300 0.036 0.000 1.229 814 P CA 0.251 63.372 63.100 0.035 0.000 0.788 814 P CB -0.005 31.728 31.700 0.055 0.000 1.072 815 R N 0.463 120.986 120.500 0.038 0.000 2.745 815 R HA 0.322 4.662 4.340 -0.000 0.000 0.290 815 R C -1.645 174.694 176.300 0.065 0.000 1.260 815 R CA -0.461 55.670 56.100 0.052 0.000 1.045 815 R CB 0.398 30.736 30.300 0.062 0.000 1.257 815 R HN -0.041 nan 8.270 nan 0.000 0.400 816 L N 3.707 124.961 121.223 0.051 0.000 2.295 816 L HA 0.511 4.851 4.340 -0.000 0.000 0.285 816 L C 0.036 176.956 176.870 0.083 0.000 1.035 816 L CA -0.660 54.224 54.840 0.072 0.000 0.806 816 L CB 1.823 43.903 42.059 0.034 0.000 1.214 816 L HN 0.535 nan 8.230 nan 0.000 0.426 817 E N 3.162 123.423 120.200 0.101 0.000 2.212 817 E HA 0.664 5.014 4.350 -0.000 0.000 0.270 817 E C -1.020 175.635 176.600 0.092 0.000 0.956 817 E CA -0.969 55.486 56.400 0.092 0.000 0.825 817 E CB 2.049 31.800 29.700 0.086 0.000 1.167 817 E HN 0.431 nan 8.360 nan 0.000 0.400 818 R N 1.540 122.098 120.500 0.097 0.000 2.621 818 R HA 0.342 4.682 4.340 -0.000 0.000 0.284 818 R C -1.646 174.741 176.300 0.145 0.000 0.998 818 R CA -0.890 55.267 56.100 0.095 0.000 0.895 818 R CB 1.635 31.971 30.300 0.060 0.000 1.195 818 R HN 0.517 nan 8.270 nan 0.000 0.450 819 Y N 2.893 123.178 120.300 -0.024 0.000 2.331 819 Y HA 0.197 4.747 4.550 -0.000 0.000 0.334 819 Y C -0.162 175.711 175.900 -0.044 0.000 0.960 819 Y CA -0.902 57.171 58.100 -0.046 0.000 1.130 819 Y CB 1.096 39.500 38.460 -0.093 0.000 1.164 819 Y HN 0.690 nan 8.280 nan 0.000 0.458 820 N N 4.082 122.513 118.700 -0.448 0.000 2.721 820 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 820 N C 0.859 176.285 175.510 -0.141 0.000 1.072 820 N CA 1.724 54.577 53.050 -0.328 0.000 0.710 820 N CB -1.098 37.166 38.487 -0.372 0.000 0.993 820 N HN 1.258 nan 8.380 nan 0.000 0.547 821 G N -2.021 106.727 108.800 -0.087 0.000 2.349 821 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.213 821 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.213 821 G C -0.017 174.877 174.900 -0.009 0.000 1.044 821 G CA 0.190 45.265 45.100 -0.041 0.000 0.633 821 G HN 0.328 nan 8.290 nan 0.000 0.506 822 L N 1.961 123.184 121.223 0.000 0.000 2.360 822 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 822 L C -2.201 174.695 176.870 0.043 0.000 1.057 822 L CA -2.340 52.512 54.840 0.020 0.000 0.803 822 L CB 1.268 43.335 42.059 0.014 0.000 1.207 822 L HN -0.097 nan 8.230 nan 0.000 0.445 823 P HA 0.018 nan 4.420 nan 0.000 0.264 823 P C -0.815 176.520 177.300 0.059 0.000 1.193 823 P CA 0.054 63.191 63.100 0.062 0.000 0.763 823 P CB 0.748 32.488 31.700 0.067 0.000 0.810 824 S N 3.129 118.871 115.700 0.069 0.000 2.634 824 S HA 0.828 5.298 4.470 -0.000 0.000 0.296 824 S C -0.714 173.909 174.600 0.039 0.000 1.104 824 S CA -0.869 57.357 58.200 0.044 0.000 0.920 824 S CB 1.323 64.560 63.200 0.061 0.000 1.111 824 S HN 0.224 nan 8.310 nan 0.000 0.493 825 M N 1.783 121.389 119.600 0.010 0.000 2.165 825 M HA 0.382 4.861 4.480 -0.000 0.000 0.283 825 M C -0.822 175.486 176.300 0.015 0.000 0.978 825 M CA -0.221 55.092 55.300 0.023 0.000 0.948 825 M CB 2.127 34.737 32.600 0.016 0.000 1.599 825 M HN 0.885 nan 8.290 nan 0.000 0.450 826 E N 3.921 124.131 120.200 0.017 0.000 2.289 826 E HA 0.474 4.824 4.350 -0.000 0.000 0.278 826 E C -1.417 175.229 176.600 0.076 0.000 1.032 826 E CA -0.214 56.194 56.400 0.014 0.000 0.854 826 E CB 1.017 30.717 29.700 0.001 0.000 1.046 826 E HN 0.606 nan 8.360 nan 0.000 0.409 827 I N 5.953 126.618 120.570 0.158 0.000 2.418 827 I HA 0.256 4.425 4.170 -0.000 0.000 0.287 827 I C -0.261 175.993 176.117 0.228 0.000 1.008 827 I CA -0.596 60.818 61.300 0.190 0.000 1.104 827 I CB 1.209 39.346 38.000 0.230 0.000 1.264 827 I HN 0.428 nan 8.210 nan 0.000 0.438 828 L N 5.043 126.326 121.223 0.101 0.000 2.400 828 L HA 0.947 5.287 4.340 -0.000 0.000 0.264 828 L C 0.545 177.311 176.870 -0.174 0.000 1.061 828 L CA -0.543 54.295 54.840 -0.003 0.000 0.799 828 L CB 1.568 43.590 42.059 -0.062 0.000 1.240 828 L HN 0.776 nan 8.230 nan 0.000 0.461 829 G N 0.275 108.718 108.800 -0.594 0.000 2.316 829 G HA2 0.412 4.372 3.960 -0.000 0.000 0.296 829 G HA3 0.412 4.372 3.960 -0.000 0.000 0.296 829 G C -2.290 171.888 174.900 -1.203 0.000 1.399 829 G CA -0.661 43.934 45.100 -0.843 0.000 0.833 829 G HN 0.625 nan 8.290 nan 0.000 0.565 830 Q N -0.856 118.564 119.800 -0.633 0.000 2.456 830 Q HA 0.756 5.096 4.340 -0.000 0.000 0.284 830 Q C -0.447 175.535 176.000 -0.030 0.000 1.061 830 Q CA -0.922 54.691 55.803 -0.317 0.000 0.799 830 Q CB 2.298 30.927 28.738 -0.183 0.000 1.445 830 Q HN 1.672 nan 8.270 nan 0.000 0.411 831 A N 1.283 124.141 122.820 0.063 0.000 2.451 831 A HA 0.576 4.896 4.320 -0.000 0.000 0.266 831 A C 0.420 178.024 177.584 0.033 0.000 1.119 831 A CA 0.233 52.324 52.037 0.090 0.000 0.786 831 A CB -0.129 18.918 19.000 0.078 0.000 1.061 831 A HN 0.833 nan 8.150 nan 0.000 0.503 832 A N 4.867 127.710 122.820 0.039 0.000 2.492 832 A HA 0.412 4.732 4.320 -0.000 0.000 0.236 832 A C -0.726 176.862 177.584 0.007 0.000 1.078 832 A CA -0.465 51.584 52.037 0.020 0.000 0.773 832 A CB -0.523 18.494 19.000 0.030 0.000 1.023 832 A HN 0.670 nan 8.150 nan 0.000 0.504 833 P HA -0.252 nan 4.420 nan 0.000 0.222 833 P C 1.522 178.815 177.300 -0.011 0.000 1.155 833 P CA 2.460 65.554 63.100 -0.010 0.000 0.890 833 P CB 0.014 31.709 31.700 -0.008 0.000 0.790 834 G N -2.172 106.627 108.800 -0.002 0.000 2.453 834 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.215 834 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.215 834 G C 0.673 175.572 174.900 -0.003 0.000 1.147 834 G CA 0.494 45.594 45.100 -0.001 0.000 0.802 834 G HN 0.265 nan 8.290 nan 0.000 0.535 835 K N 0.230 120.631 120.400 0.003 0.000 2.210 835 K HA 0.558 4.878 4.320 -0.000 0.000 0.236 835 K C 0.332 176.931 176.600 -0.002 0.000 1.016 835 K CA -0.461 55.829 56.287 0.004 0.000 0.913 835 K CB 1.555 34.064 32.500 0.014 0.000 1.141 835 K HN 0.193 nan 8.250 nan 0.000 0.462 836 S N -1.433 114.265 115.700 -0.003 0.000 2.713 836 S HA 0.215 4.684 4.470 -0.000 0.000 0.283 836 S C 0.743 175.344 174.600 0.002 0.000 1.161 836 S CA -0.521 57.673 58.200 -0.010 0.000 0.999 836 S CB 1.396 64.589 63.200 -0.013 0.000 1.039 836 S HN 0.479 nan 8.310 nan 0.000 0.548 837 T N 1.439 115.992 114.554 -0.003 0.000 2.708 837 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 837 T C 2.032 176.704 174.700 -0.048 0.000 1.037 837 T CA 1.752 63.860 62.100 0.014 0.000 1.146 837 T CB -1.162 67.715 68.868 0.014 0.000 0.865 837 T HN 0.868 nan 8.240 nan 0.000 0.435 838 G N 0.955 109.717 108.800 -0.063 0.000 2.432 838 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 838 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 838 G C 1.467 176.324 174.900 -0.072 0.000 1.135 838 G CA 0.642 45.688 45.100 -0.091 0.000 0.767 838 G HN 0.498 nan 8.290 nan 0.000 0.550 839 E N 0.312 120.489 120.200 -0.039 0.000 2.047 839 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 839 E C 2.967 179.544 176.600 -0.039 0.000 0.987 839 E CA 0.754 57.137 56.400 -0.029 0.000 0.799 839 E CB -0.162 29.531 29.700 -0.010 0.000 0.752 839 E HN 0.393 nan 8.360 nan 0.000 0.449 840 A N 0.875 123.682 122.820 -0.022 0.000 1.933 840 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 840 A C 2.118 179.625 177.584 -0.128 0.000 1.175 840 A CA 1.276 53.306 52.037 -0.012 0.000 0.628 840 A CB -0.412 18.672 19.000 0.141 0.000 0.814 840 A HN 0.160 nan 8.150 nan 0.000 0.444 841 M N -1.262 118.223 119.600 -0.192 0.000 2.132 841 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 841 M C 2.201 178.497 176.300 -0.007 0.000 1.065 841 M CA 1.744 56.891 55.300 -0.254 0.000 1.122 841 M CB -0.294 31.960 32.600 -0.576 0.000 1.365 841 M HN 0.556 nan 8.290 nan 0.000 0.411 842 E N 0.490 120.666 120.200 -0.041 0.000 2.204 842 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 842 E C 1.971 178.549 176.600 -0.036 0.000 0.989 842 E CA 0.694 57.093 56.400 -0.001 0.000 0.824 842 E CB 0.108 29.800 29.700 -0.012 0.000 0.756 842 E HN 0.400 nan 8.360 nan 0.000 0.477 843 L N 0.438 121.610 121.223 -0.084 0.000 2.131 843 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 843 L C 2.176 178.932 176.870 -0.190 0.000 1.087 843 L CA 1.026 55.779 54.840 -0.146 0.000 0.767 843 L CB -0.416 41.538 42.059 -0.175 0.000 0.917 843 L HN 0.263 nan 8.230 nan 0.000 0.441 844 M N 0.010 119.489 119.600 -0.202 0.000 2.080 844 M HA -0.240 4.240 4.480 -0.000 0.000 0.260 844 M C 1.996 178.076 176.300 -0.367 0.000 1.068 844 M CA 1.697 56.792 55.300 -0.342 0.000 1.109 844 M CB -0.876 31.471 32.600 -0.423 0.000 1.342 844 M HN 0.315 nan 8.290 nan 0.000 0.405 845 E N -0.275 119.790 120.200 -0.225 0.000 2.118 845 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 845 E C 2.067 178.566 176.600 -0.168 0.000 0.992 845 E CA 1.103 57.323 56.400 -0.300 0.000 0.804 845 E CB -0.173 29.556 29.700 0.048 0.000 0.741 845 E HN 0.611 nan 8.360 nan 0.000 0.458 846 Q N 0.417 120.149 119.800 -0.113 0.000 2.046 846 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 846 Q C 2.356 178.292 176.000 -0.106 0.000 0.975 846 Q CA 0.945 56.698 55.803 -0.082 0.000 0.836 846 Q CB -0.026 28.663 28.738 -0.083 0.000 0.896 846 Q HN 0.305 nan 8.270 nan 0.000 0.428 847 L N -0.063 121.061 121.223 -0.165 0.000 2.083 847 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 847 L C 2.338 179.125 176.870 -0.139 0.000 1.083 847 L CA 0.885 55.635 54.840 -0.151 0.000 0.752 847 L CB -0.441 41.504 42.059 -0.191 0.000 0.899 847 L HN 0.229 nan 8.230 nan 0.000 0.433 848 A N -0.338 122.361 122.820 -0.201 0.000 2.066 848 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 848 A C 2.377 179.956 177.584 -0.008 0.000 1.157 848 A CA 1.299 53.262 52.037 -0.124 0.000 0.670 848 A CB -0.425 18.435 19.000 -0.233 0.000 0.804 848 A HN 0.499 nan 8.150 nan 0.000 0.453 849 S N -0.545 115.149 115.700 -0.010 0.000 2.555 849 S HA 0.006 4.476 4.470 -0.000 0.000 0.230 849 S C 1.133 175.752 174.600 0.032 0.000 0.978 849 S CA 0.943 59.174 58.200 0.051 0.000 0.934 849 S CB -0.163 63.068 63.200 0.051 0.000 0.766 849 S HN 0.552 nan 8.310 nan 0.000 0.533 850 K N 0.524 120.931 120.400 0.011 0.000 2.438 850 K HA 0.372 4.692 4.320 -0.000 0.000 0.205 850 K C -0.119 176.487 176.600 0.010 0.000 1.033 850 K CA -0.211 56.082 56.287 0.010 0.000 1.089 850 K CB 0.376 32.878 32.500 0.004 0.000 0.857 850 K HN 0.370 nan 8.250 nan 0.000 0.522 851 L N 2.081 123.313 121.223 0.015 0.000 2.476 851 L HA 0.144 4.484 4.340 -0.000 0.000 0.255 851 L C -1.900 174.981 176.870 0.018 0.000 1.218 851 L CA -1.773 53.076 54.840 0.015 0.000 0.819 851 L CB -0.397 41.678 42.059 0.026 0.000 1.119 851 L HN -0.125 nan 8.230 nan 0.000 0.485 852 P HA 0.018 nan 4.420 nan 0.000 0.269 852 P C -0.701 176.608 177.300 0.016 0.000 1.209 852 P CA -0.199 62.907 63.100 0.012 0.000 0.776 852 P CB 0.211 31.915 31.700 0.007 0.000 0.876 853 T N 2.347 116.909 114.554 0.013 0.000 2.778 853 T HA 0.306 4.656 4.350 -0.000 0.000 0.282 853 T C 1.315 176.022 174.700 0.012 0.000 0.983 853 T CA 1.667 63.775 62.100 0.014 0.000 1.193 853 T CB -0.674 68.200 68.868 0.011 0.000 0.938 853 T HN 0.816 nan 8.240 nan 0.000 0.523 854 G N 2.469 111.277 108.800 0.013 0.000 2.192 854 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.193 854 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.193 854 G C -0.010 174.896 174.900 0.011 0.000 0.999 854 G CA -0.359 44.746 45.100 0.009 0.000 0.659 854 G HN 0.759 nan 8.290 nan 0.000 0.503 855 V N 1.201 121.126 119.914 0.019 0.000 2.394 855 V HA 0.796 4.916 4.120 -0.000 0.000 0.282 855 V C 0.921 177.039 176.094 0.040 0.000 1.031 855 V CA 0.247 62.563 62.300 0.026 0.000 0.881 855 V CB 1.260 33.103 31.823 0.033 0.000 0.982 855 V HN 0.725 nan 8.190 nan 0.000 0.451 856 G N 3.386 112.196 108.800 0.018 0.000 2.735 856 G HA2 0.804 4.764 3.960 -0.000 0.000 0.301 856 G HA3 0.804 4.764 3.960 -0.000 0.000 0.301 856 G C -1.467 173.428 174.900 -0.008 0.000 1.279 856 G CA -0.634 44.462 45.100 -0.007 0.000 1.019 856 G HN 0.819 nan 8.290 nan 0.000 0.497 857 Y N -1.833 118.332 120.300 -0.225 0.000 2.625 857 Y HA 0.807 5.356 4.550 -0.000 0.000 0.338 857 Y C -1.684 173.900 175.900 -0.526 0.000 1.123 857 Y CA -1.421 56.371 58.100 -0.513 0.000 1.046 857 Y CB 2.334 40.415 38.460 -0.632 0.000 1.299 857 Y HN 0.526 nan 8.280 nan 0.000 0.464 858 D N 0.203 120.198 120.400 -0.675 0.000 2.654 858 D HA 0.279 4.919 4.640 -0.000 0.000 0.231 858 D C -2.161 173.770 176.300 -0.616 0.000 1.239 858 D CA -0.574 53.114 54.000 -0.519 0.000 0.790 858 D CB 1.711 42.359 40.800 -0.254 0.000 1.480 858 D HN 0.673 nan 8.370 nan 0.000 0.442 859 W N 0.983 122.217 121.300 -0.110 0.000 2.365 859 W HA 0.537 5.197 4.660 -0.000 0.000 0.316 859 W C 0.796 177.249 176.519 -0.110 0.000 1.164 859 W CA -0.359 56.949 57.345 -0.061 0.000 1.204 859 W CB 1.727 31.241 29.460 0.089 0.000 1.213 859 W HN 0.057 nan 8.180 nan 0.000 0.539 860 T N 0.916 115.489 114.554 0.032 0.000 2.858 860 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 860 T C 0.833 175.552 174.700 0.032 0.000 1.052 860 T CA 0.455 62.418 62.100 -0.228 0.000 1.009 860 T CB 0.670 69.197 68.868 -0.569 0.000 1.241 860 T HN 0.953 nan 8.240 nan 0.000 0.542 861 G N 2.096 110.909 108.800 0.022 0.000 2.611 861 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.301 861 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.301 861 G C 1.097 176.140 174.900 0.238 0.000 1.233 861 G CA 0.777 45.996 45.100 0.199 0.000 0.993 861 G HN 0.681 nan 8.290 nan 0.000 0.553 862 M N 0.540 120.240 119.600 0.167 0.000 2.213 862 M HA -0.008 4.472 4.480 -0.000 0.000 0.263 862 M C 2.792 179.178 176.300 0.143 0.000 1.062 862 M CA 2.233 57.610 55.300 0.129 0.000 1.105 862 M CB -1.627 31.027 32.600 0.090 0.000 1.385 862 M HN 0.443 nan 8.290 nan 0.000 0.417 863 S N -0.477 115.329 115.700 0.177 0.000 2.406 863 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 863 S C 1.819 176.489 174.600 0.117 0.000 1.020 863 S CA 0.671 58.928 58.200 0.095 0.000 0.965 863 S CB -0.447 62.857 63.200 0.173 0.000 0.798 863 S HN 0.517 nan 8.310 nan 0.000 0.488 864 Y N 2.031 122.406 120.300 0.125 0.000 2.286 864 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 864 Y C 2.486 178.462 175.900 0.127 0.000 1.124 864 Y CA 1.455 59.644 58.100 0.147 0.000 1.178 864 Y CB -0.357 38.205 38.460 0.170 0.000 1.010 864 Y HN 0.097 nan 8.280 nan 0.000 0.536 865 Q N 0.901 120.829 119.800 0.213 0.000 2.002 865 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 865 Q C 2.129 178.130 176.000 0.001 0.000 0.988 865 Q CA 2.498 58.359 55.803 0.098 0.000 0.843 865 Q CB -0.272 28.539 28.738 0.120 0.000 0.908 865 Q HN 0.594 nan 8.270 nan 0.000 0.420 866 E N -0.510 119.704 120.200 0.022 0.000 2.171 866 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 866 E C 2.123 178.702 176.600 -0.035 0.000 0.997 866 E CA 1.023 57.433 56.400 0.017 0.000 0.810 866 E CB -0.074 29.647 29.700 0.035 0.000 0.738 866 E HN 0.211 nan 8.360 nan 0.000 0.467 867 R N 0.169 120.613 120.500 -0.093 0.000 2.070 867 R HA -0.036 4.304 4.340 -0.000 0.000 0.233 867 R C 1.828 178.067 176.300 -0.102 0.000 1.137 867 R CA 0.954 56.986 56.100 -0.114 0.000 0.945 867 R CB -0.062 30.158 30.300 -0.133 0.000 0.845 867 R HN 0.159 nan 8.270 nan 0.000 0.430 868 L N 0.584 121.705 121.223 -0.169 0.000 2.653 868 L HA 0.111 4.451 4.340 -0.000 0.000 0.232 868 L C 0.397 177.249 176.870 -0.030 0.000 1.169 868 L CA 0.108 54.868 54.840 -0.133 0.000 0.951 868 L CB 0.420 42.325 42.059 -0.256 0.000 1.181 868 L HN 0.196 nan 8.230 nan 0.000 0.460 869 S N -3.332 112.375 115.700 0.012 0.000 3.078 869 S HA 0.195 4.664 4.470 -0.000 0.000 0.248 869 S C 0.838 175.512 174.600 0.124 0.000 0.857 869 S CA 0.039 58.295 58.200 0.095 0.000 1.139 869 S CB 0.391 63.663 63.200 0.119 0.000 1.186 869 S HN 0.212 nan 8.310 nan 0.000 0.567 870 G N 1.668 110.516 108.800 0.080 0.000 2.939 870 G HA2 0.154 4.114 3.960 -0.000 0.000 0.216 870 G HA3 0.154 4.114 3.960 -0.000 0.000 0.216 870 G C 0.533 175.487 174.900 0.090 0.000 1.125 870 G CA -0.339 44.814 45.100 0.089 0.000 0.766 870 G HN 0.508 nan 8.290 nan 0.000 0.541 871 N N 0.608 119.349 118.700 0.069 0.000 2.362 871 N HA 0.174 4.914 4.740 -0.000 0.000 0.211 871 N C 1.351 176.889 175.510 0.046 0.000 1.170 871 N CA 0.234 53.313 53.050 0.048 0.000 0.828 871 N CB 0.642 39.145 38.487 0.026 0.000 1.034 871 N HN 0.407 nan 8.380 nan 0.000 0.475 872 Q N -0.956 118.896 119.800 0.088 0.000 2.384 872 Q HA 0.351 4.691 4.340 -0.000 0.000 0.264 872 Q C 1.751 177.753 176.000 0.004 0.000 0.825 872 Q CA 0.162 55.978 55.803 0.023 0.000 0.984 872 Q CB 0.214 28.968 28.738 0.026 0.000 1.183 872 Q HN 0.308 nan 8.270 nan 0.000 0.537 873 A N 2.382 125.342 122.820 0.232 0.000 1.948 873 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 873 A C -0.458 177.226 177.584 0.167 0.000 1.177 873 A CA 1.620 53.834 52.037 0.295 0.000 0.636 873 A CB -1.230 17.981 19.000 0.351 0.000 0.815 873 A HN 0.290 nan 8.150 nan 0.000 0.449 874 P HA 0.038 nan 4.420 nan 0.000 0.220 874 P C 1.513 178.826 177.300 0.021 0.000 1.154 874 P CA 1.395 64.548 63.100 0.089 0.000 0.830 874 P CB -0.087 31.651 31.700 0.063 0.000 0.803 875 S N 0.318 116.001 115.700 -0.028 0.000 2.382 875 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 875 S C 2.016 176.539 174.600 -0.129 0.000 1.027 875 S CA 1.069 59.228 58.200 -0.067 0.000 0.991 875 S CB -1.023 62.135 63.200 -0.070 0.000 0.823 875 S HN 0.101 nan 8.310 nan 0.000 0.469 876 L N -0.540 120.535 121.223 -0.247 0.000 2.044 876 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 876 L C 1.994 178.697 176.870 -0.278 0.000 1.075 876 L CA 1.270 55.880 54.840 -0.383 0.000 0.747 876 L CB -0.479 41.143 42.059 -0.727 0.000 0.903 876 L HN 0.348 nan 8.230 nan 0.000 0.435 877 Y N -0.706 119.552 120.300 -0.070 0.000 2.571 877 Y HA -0.087 4.463 4.550 -0.000 0.000 0.294 877 Y C 2.472 178.352 175.900 -0.033 0.000 1.141 877 Y CA 0.082 58.161 58.100 -0.035 0.000 1.308 877 Y CB -0.247 38.216 38.460 0.006 0.000 1.002 877 Y HN 0.179 nan 8.280 nan 0.000 0.551 878 A N 0.618 123.483 122.820 0.074 0.000 1.898 878 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 878 A C 2.049 179.642 177.584 0.015 0.000 1.181 878 A CA 1.449 53.505 52.037 0.032 0.000 0.620 878 A CB -0.791 18.210 19.000 0.001 0.000 0.819 878 A HN 0.487 nan 8.150 nan 0.000 0.442 879 I N -0.634 119.925 120.570 -0.020 0.000 2.394 879 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 879 I C 2.648 178.765 176.117 -0.000 0.000 1.136 879 I CA 1.018 62.298 61.300 -0.033 0.000 1.425 879 I CB -0.403 37.541 38.000 -0.094 0.000 1.079 879 I HN 0.194 nan 8.210 nan 0.000 0.425 880 S N 1.257 116.976 115.700 0.032 0.000 2.369 880 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 880 S C 1.951 176.586 174.600 0.058 0.000 1.043 880 S CA 1.601 59.842 58.200 0.068 0.000 1.074 880 S CB -0.402 62.905 63.200 0.178 0.000 0.962 880 S HN 0.367 nan 8.310 nan 0.000 0.433 881 L N 0.574 121.837 121.223 0.067 0.000 2.376 881 L HA 0.020 4.360 4.340 -0.000 0.000 0.219 881 L C 1.953 178.881 176.870 0.097 0.000 1.133 881 L CA 0.533 55.414 54.840 0.070 0.000 0.816 881 L CB -0.540 41.552 42.059 0.054 0.000 0.933 881 L HN 0.312 nan 8.230 nan 0.000 0.449 882 I N -0.978 119.641 120.570 0.081 0.000 2.233 882 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 882 I C 2.410 178.621 176.117 0.157 0.000 1.093 882 I CA 0.799 62.170 61.300 0.119 0.000 1.380 882 I CB -0.234 37.807 38.000 0.068 0.000 1.067 882 I HN -0.051 nan 8.210 nan 0.000 0.413 883 V N 0.413 120.377 119.914 0.083 0.000 2.343 883 V HA -0.221 3.898 4.120 -0.000 0.000 0.247 883 V C 2.473 178.595 176.094 0.046 0.000 1.051 883 V CA 1.446 63.778 62.300 0.052 0.000 1.036 883 V CB -0.423 31.408 31.823 0.014 0.000 0.654 883 V HN 0.229 nan 8.190 nan 0.000 0.451 884 V N -0.306 119.641 119.914 0.055 0.000 2.287 884 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 884 V C 2.200 178.329 176.094 0.058 0.000 1.053 884 V CA 2.653 64.976 62.300 0.038 0.000 1.027 884 V CB -0.765 31.080 31.823 0.037 0.000 0.646 884 V HN 0.602 nan 8.190 nan 0.000 0.447 885 F N 0.188 120.120 119.950 -0.031 0.000 2.126 885 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 885 F C 1.960 177.734 175.800 -0.042 0.000 1.096 885 F CA 1.663 59.627 58.000 -0.059 0.000 1.255 885 F CB -0.307 38.661 39.000 -0.053 0.000 0.997 885 F HN 0.060 nan 8.300 nan 0.000 0.479 886 L N -0.095 121.097 121.223 -0.052 0.000 2.083 886 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 886 L C 2.604 179.350 176.870 -0.207 0.000 1.083 886 L CA 1.367 56.129 54.840 -0.131 0.000 0.752 886 L CB -1.377 40.710 42.059 0.046 0.000 0.899 886 L HN 0.323 nan 8.230 nan 0.000 0.433 887 C N -1.192 118.018 119.300 -0.150 0.000 2.453 887 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 887 C C 2.717 177.560 174.990 -0.246 0.000 1.262 887 C CA 0.309 59.228 59.018 -0.165 0.000 1.718 887 C CB -0.841 26.833 27.740 -0.110 0.000 2.031 887 C HN 0.448 nan 8.230 nan 0.000 0.480 888 L N 1.123 122.200 121.223 -0.244 0.000 2.093 888 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 888 L C 2.900 179.596 176.870 -0.291 0.000 1.085 888 L CA 1.402 56.094 54.840 -0.247 0.000 0.755 888 L CB -0.813 41.212 42.059 -0.058 0.000 0.904 888 L HN 0.314 nan 8.230 nan 0.000 0.435 889 A N 0.356 122.885 122.820 -0.484 0.000 1.883 889 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 889 A C 2.545 179.832 177.584 -0.496 0.000 1.186 889 A CA 2.084 53.749 52.037 -0.620 0.000 0.624 889 A CB -0.807 17.597 19.000 -0.994 0.000 0.822 889 A HN 0.406 nan 8.150 nan 0.000 0.444 890 A N -0.470 122.097 122.820 -0.422 0.000 1.877 890 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 890 A C 2.162 179.567 177.584 -0.298 0.000 1.186 890 A CA 1.758 53.603 52.037 -0.321 0.000 0.620 890 A CB -0.753 18.104 19.000 -0.240 0.000 0.822 890 A HN 0.930 nan 8.150 nan 0.000 0.443 891 L N -1.262 119.739 121.223 -0.371 0.000 2.013 891 L HA -0.139 4.200 4.340 -0.000 0.000 0.212 891 L C 1.544 178.115 176.870 -0.499 0.000 1.073 891 L CA 1.671 56.224 54.840 -0.478 0.000 0.753 891 L CB -0.736 40.917 42.059 -0.677 0.000 0.890 891 L HN 0.457 nan 8.230 nan 0.000 0.432 892 Y N -0.573 119.631 120.300 -0.160 0.000 2.896 892 Y HA 0.444 4.994 4.550 -0.000 0.000 0.444 892 Y C 0.916 176.700 175.900 -0.194 0.000 1.328 892 Y CA -0.220 57.792 58.100 -0.146 0.000 1.741 892 Y CB -0.346 38.038 38.460 -0.127 0.000 1.633 892 Y HN -0.043 nan 8.280 nan 0.000 0.748 893 E N -0.123 120.068 120.200 -0.014 0.000 4.172 893 E HA 0.317 4.666 4.350 -0.000 0.000 0.197 893 E C -1.440 175.050 176.600 -0.184 0.000 1.088 893 E CA -0.104 56.211 56.400 -0.142 0.000 1.461 893 E CB 0.452 30.101 29.700 -0.085 0.000 1.180 893 E HN 0.398 nan 8.360 nan 0.000 0.419 894 S N -0.965 114.572 115.700 -0.271 0.000 2.565 894 S HA 0.390 4.860 4.470 -0.000 0.000 0.269 894 S C -0.986 173.396 174.600 -0.363 0.000 1.153 894 S CA -0.657 57.417 58.200 -0.210 0.000 0.835 894 S CB 0.406 63.590 63.200 -0.026 0.000 1.122 894 S HN 0.356 nan 8.310 nan 0.000 0.462 895 W N 1.580 122.924 121.300 0.074 0.000 3.290 895 W HA 0.170 4.830 4.660 -0.000 0.000 0.287 895 W C 2.004 178.641 176.519 0.197 0.000 1.288 895 W CA 0.418 57.819 57.345 0.094 0.000 1.725 895 W CB 0.183 29.779 29.460 0.226 0.000 1.103 895 W HN 0.738 nan 8.180 nan 0.000 0.670 896 S N -0.828 115.088 115.700 0.360 0.000 2.545 896 S HA 0.038 4.508 4.470 -0.000 0.000 0.232 896 S C 1.561 176.300 174.600 0.231 0.000 1.070 896 S CA 0.137 58.602 58.200 0.442 0.000 0.923 896 S CB -0.570 62.897 63.200 0.445 0.000 0.806 896 S HN 0.178 nan 8.310 nan 0.000 0.506 897 I N 3.266 123.847 120.570 0.019 0.000 2.163 897 I HA -0.082 4.088 4.170 -0.000 0.000 0.243 897 I C -0.720 175.341 176.117 -0.093 0.000 1.085 897 I CA 1.182 62.396 61.300 -0.143 0.000 1.347 897 I CB -1.387 36.439 38.000 -0.290 0.000 1.044 897 I HN 0.253 nan 8.210 nan 0.000 0.408 898 P HA -0.222 nan 4.420 nan 0.000 0.218 898 P C 1.663 178.988 177.300 0.041 0.000 1.146 898 P CA 1.785 64.879 63.100 -0.009 0.000 0.820 898 P CB -0.282 31.279 31.700 -0.232 0.000 0.778 899 F N 1.326 121.379 119.950 0.172 0.000 2.202 899 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 899 F C 2.676 178.455 175.800 -0.036 0.000 1.082 899 F CA 1.485 59.533 58.000 0.080 0.000 1.313 899 F CB -0.981 38.052 39.000 0.055 0.000 1.024 899 F HN 0.026 nan 8.300 nan 0.000 0.495 900 S N -0.632 115.163 115.700 0.158 0.000 2.442 900 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 900 S C 1.829 176.507 174.600 0.130 0.000 1.007 900 S CA 1.138 59.413 58.200 0.125 0.000 0.965 900 S CB -0.664 62.644 63.200 0.180 0.000 0.773 900 S HN 0.317 nan 8.310 nan 0.000 0.504 901 V N 0.548 120.535 119.914 0.122 0.000 3.263 901 V HA 0.277 4.397 4.120 -0.000 0.000 0.248 901 V C 1.888 178.026 176.094 0.072 0.000 1.145 901 V CA 0.598 62.979 62.300 0.135 0.000 1.107 901 V CB -0.343 31.582 31.823 0.171 0.000 0.797 901 V HN 0.477 nan 8.190 nan 0.000 0.467 902 M N -0.077 119.561 119.600 0.064 0.000 2.460 902 M HA 0.026 4.506 4.480 -0.000 0.000 0.263 902 M C 1.548 177.836 176.300 -0.019 0.000 1.071 902 M CA 1.507 56.843 55.300 0.059 0.000 1.096 902 M CB -0.219 32.465 32.600 0.141 0.000 1.408 902 M HN 0.316 nan 8.290 nan 0.000 0.463 903 L N -0.396 120.706 121.223 -0.201 0.000 2.627 903 L HA 0.022 4.362 4.340 -0.000 0.000 0.232 903 L C 1.621 178.355 176.870 -0.226 0.000 1.150 903 L CA -0.263 54.331 54.840 -0.411 0.000 0.917 903 L CB -0.242 41.129 42.059 -1.146 0.000 1.104 903 L HN 0.073 nan 8.230 nan 0.000 0.445 904 V N -1.689 118.234 119.914 0.015 0.000 3.235 904 V HA -0.085 4.035 4.120 -0.000 0.000 0.259 904 V C 2.342 178.528 176.094 0.153 0.000 1.133 904 V CA 0.435 62.866 62.300 0.219 0.000 1.128 904 V CB 0.486 32.444 31.823 0.225 0.000 0.757 904 V HN 0.212 nan 8.190 nan 0.000 0.469 905 V N 1.158 121.124 119.914 0.088 0.000 2.278 905 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 905 V C 0.196 176.319 176.094 0.049 0.000 1.062 905 V CA 2.765 65.094 62.300 0.049 0.000 1.038 905 V CB -1.807 30.023 31.823 0.013 0.000 0.646 905 V HN 0.545 nan 8.190 nan 0.000 0.447 906 P HA -0.029 nan 4.420 nan 0.000 0.226 906 P C 1.656 178.963 177.300 0.011 0.000 1.153 906 P CA 0.775 63.873 63.100 -0.004 0.000 0.777 906 P CB -0.042 31.589 31.700 -0.115 0.000 0.794 907 L N -0.782 120.481 121.223 0.066 0.000 2.141 907 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 907 L C 2.493 179.401 176.870 0.063 0.000 1.094 907 L CA 2.134 57.010 54.840 0.060 0.000 0.763 907 L CB -1.566 40.564 42.059 0.118 0.000 0.908 907 L HN 0.034 nan 8.230 nan 0.000 0.437 908 G N -1.391 107.449 108.800 0.067 0.000 2.408 908 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.213 908 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.213 908 G C 1.571 176.497 174.900 0.042 0.000 1.177 908 G CA 0.675 45.810 45.100 0.059 0.000 0.802 908 G HN 0.172 nan 8.290 nan 0.000 0.533 909 V N 1.287 121.227 119.914 0.043 0.000 2.324 909 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 909 V C 2.635 178.779 176.094 0.084 0.000 1.060 909 V CA 1.758 64.098 62.300 0.066 0.000 1.042 909 V CB -0.514 31.370 31.823 0.102 0.000 0.650 909 V HN 0.361 nan 8.190 nan 0.000 0.450 910 I N 1.143 121.746 120.570 0.055 0.000 2.335 910 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 910 I C 2.187 178.322 176.117 0.029 0.000 1.129 910 I CA 1.870 63.194 61.300 0.039 0.000 1.402 910 I CB -0.642 37.360 38.000 0.003 0.000 1.069 910 I HN 0.240 nan 8.210 nan 0.000 0.424 911 G N -0.592 108.228 108.800 0.033 0.000 2.396 911 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 911 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 911 G C 1.746 176.673 174.900 0.045 0.000 1.166 911 G CA 0.537 45.650 45.100 0.021 0.000 0.793 911 G HN 0.548 nan 8.290 nan 0.000 0.533 912 A N 0.956 123.818 122.820 0.071 0.000 1.865 912 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 912 A C 2.440 180.207 177.584 0.305 0.000 1.191 912 A CA 1.478 53.595 52.037 0.134 0.000 0.623 912 A CB -0.567 18.412 19.000 -0.035 0.000 0.826 912 A HN 0.340 nan 8.150 nan 0.000 0.444 913 L N -0.878 120.503 121.223 0.264 0.000 2.017 913 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 913 L C 2.639 179.547 176.870 0.062 0.000 1.073 913 L CA 1.477 56.428 54.840 0.185 0.000 0.745 913 L CB -0.685 41.454 42.059 0.133 0.000 0.894 913 L HN 0.553 nan 8.230 nan 0.000 0.432 914 L N 0.084 121.311 121.223 0.006 0.000 1.971 914 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 914 L C 2.750 179.553 176.870 -0.111 0.000 1.072 914 L CA 1.949 56.706 54.840 -0.138 0.000 0.758 914 L CB -0.361 41.575 42.059 -0.206 0.000 0.889 914 L HN 0.225 nan 8.230 nan 0.000 0.433 915 A N -0.377 122.433 122.820 -0.017 0.000 1.877 915 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 915 A C 2.427 180.067 177.584 0.093 0.000 1.186 915 A CA 1.970 54.033 52.037 0.044 0.000 0.620 915 A CB -1.196 17.843 19.000 0.065 0.000 0.822 915 A HN 0.647 nan 8.150 nan 0.000 0.443 916 A N -1.025 121.846 122.820 0.084 0.000 1.898 916 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 916 A C 2.308 179.881 177.584 -0.020 0.000 1.181 916 A CA 2.280 54.310 52.037 -0.010 0.000 0.620 916 A CB -1.291 17.577 19.000 -0.220 0.000 0.819 916 A HN 0.455 nan 8.150 nan 0.000 0.442 917 T N -0.651 113.915 114.554 0.019 0.000 2.674 917 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 917 T C 1.609 176.433 174.700 0.206 0.000 1.039 917 T CA 1.555 63.702 62.100 0.080 0.000 1.150 917 T CB -0.504 68.439 68.868 0.125 0.000 0.864 917 T HN 0.469 nan 8.240 nan 0.000 0.427 918 F N 0.813 120.750 119.950 -0.021 0.000 2.293 918 F HA -0.005 4.522 4.527 -0.000 0.000 0.300 918 F C 2.626 178.419 175.800 -0.012 0.000 1.086 918 F CA 0.271 58.267 58.000 -0.008 0.000 1.375 918 F CB 0.086 39.091 39.000 0.009 0.000 1.045 918 F HN -0.133 nan 8.300 nan 0.000 0.516 919 R N 0.412 121.004 120.500 0.153 0.000 2.313 919 R HA 0.090 4.429 4.340 -0.000 0.000 0.199 919 R C 1.422 177.732 176.300 0.017 0.000 0.958 919 R CA 0.753 56.893 56.100 0.068 0.000 1.047 919 R CB -0.757 29.578 30.300 0.058 0.000 0.955 919 R HN 0.345 nan 8.270 nan 0.000 0.481 920 G N 1.086 109.889 108.800 0.004 0.000 2.179 920 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 920 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 920 G C 0.256 175.127 174.900 -0.049 0.000 1.010 920 G CA 0.160 45.242 45.100 -0.030 0.000 0.736 920 G HN 0.182 nan 8.290 nan 0.000 0.513 921 L N -0.520 120.666 121.223 -0.061 0.000 2.600 921 L HA 0.837 5.177 4.340 -0.000 0.000 0.221 921 L C 0.981 177.752 176.870 -0.165 0.000 1.197 921 L CA 0.676 55.461 54.840 -0.091 0.000 0.838 921 L CB 1.180 43.192 42.059 -0.079 0.000 1.474 921 L HN 0.278 nan 8.230 nan 0.000 0.514 922 T N 0.372 114.806 114.554 -0.200 0.000 2.900 922 T HA 0.266 4.616 4.350 -0.000 0.000 0.295 922 T C -0.443 174.022 174.700 -0.392 0.000 1.044 922 T CA -0.701 61.244 62.100 -0.259 0.000 0.995 922 T CB 0.943 69.710 68.868 -0.168 0.000 1.072 922 T HN 0.547 nan 8.240 nan 0.000 0.473 923 N N 3.535 121.955 118.700 -0.467 0.000 2.405 923 N HA 0.258 4.998 4.740 -0.000 0.000 0.260 923 N C -0.640 174.763 175.510 -0.179 0.000 1.152 923 N CA -0.023 52.740 53.050 -0.479 0.000 0.948 923 N CB 0.180 38.405 38.487 -0.437 0.000 1.111 923 N HN 0.766 nan 8.380 nan 0.000 0.485 924 D N 0.828 121.225 120.400 -0.005 0.000 2.837 924 D HA 0.189 4.829 4.640 -0.000 0.000 0.294 924 D C 0.914 177.274 176.300 0.099 0.000 1.158 924 D CA -0.683 53.333 54.000 0.025 0.000 1.073 924 D CB 0.044 40.855 40.800 0.019 0.000 1.419 924 D HN 0.049 nan 8.370 nan 0.000 0.584 925 V N -0.748 119.160 119.914 -0.010 0.000 2.287 925 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 925 V C 2.117 178.050 176.094 -0.267 0.000 1.053 925 V CA 1.720 63.907 62.300 -0.189 0.000 1.027 925 V CB -1.049 30.504 31.823 -0.449 0.000 0.646 925 V HN 0.508 nan 8.190 nan 0.000 0.447 926 Y N -1.558 118.690 120.300 -0.087 0.000 2.333 926 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 926 Y C 2.223 178.124 175.900 0.003 0.000 1.144 926 Y CA 1.798 59.838 58.100 -0.101 0.000 1.228 926 Y CB -0.318 38.119 38.460 -0.037 0.000 0.985 926 Y HN 0.251 nan 8.280 nan 0.000 0.542 927 F N 0.694 120.679 119.950 0.058 0.000 2.149 927 F HA -0.142 4.385 4.527 -0.000 0.000 0.294 927 F C 2.258 178.074 175.800 0.026 0.000 1.095 927 F CA 1.284 59.302 58.000 0.030 0.000 1.276 927 F CB -0.426 38.569 39.000 -0.008 0.000 1.023 927 F HN -0.101 nan 8.300 nan 0.000 0.480 928 Q N -0.067 119.806 119.800 0.121 0.000 2.077 928 Q HA -0.190 4.149 4.340 -0.000 0.000 0.206 928 Q C 2.195 178.215 176.000 0.033 0.000 0.989 928 Q CA 2.698 58.550 55.803 0.081 0.000 0.853 928 Q CB -0.512 28.366 28.738 0.234 0.000 0.907 928 Q HN 0.353 nan 8.270 nan 0.000 0.418 929 V N -0.332 119.594 119.914 0.019 0.000 2.358 929 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 929 V C 2.132 178.252 176.094 0.044 0.000 1.047 929 V CA 1.759 64.078 62.300 0.032 0.000 1.035 929 V CB -1.348 30.362 31.823 -0.188 0.000 0.658 929 V HN 0.563 nan 8.190 nan 0.000 0.452 930 G N 0.341 109.126 108.800 -0.025 0.000 2.476 930 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 930 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 930 G C 1.600 176.447 174.900 -0.089 0.000 1.164 930 G CA 1.258 46.335 45.100 -0.038 0.000 0.768 930 G HN 0.460 nan 8.290 nan 0.000 0.560 931 L N -0.001 121.076 121.223 -0.243 0.000 1.990 931 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 931 L C 2.925 179.779 176.870 -0.026 0.000 1.072 931 L CA 0.953 55.674 54.840 -0.199 0.000 0.755 931 L CB -0.476 41.439 42.059 -0.241 0.000 0.889 931 L HN 0.187 nan 8.230 nan 0.000 0.432 932 L N -1.158 120.099 121.223 0.057 0.000 2.191 932 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 932 L C 2.505 179.572 176.870 0.328 0.000 1.103 932 L CA 1.180 56.123 54.840 0.172 0.000 0.769 932 L CB -0.890 41.386 42.059 0.362 0.000 0.908 932 L HN 0.310 nan 8.230 nan 0.000 0.438 933 T N -1.199 113.540 114.554 0.308 0.000 2.809 933 T HA -0.125 4.225 4.350 -0.000 0.000 0.260 933 T C 1.947 176.775 174.700 0.214 0.000 1.039 933 T CA 1.769 64.054 62.100 0.308 0.000 1.141 933 T CB -0.143 68.868 68.868 0.238 0.000 0.869 933 T HN 0.339 nan 8.240 nan 0.000 0.437 934 T N 2.591 117.240 114.554 0.158 0.000 2.684 934 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 934 T C 1.967 176.724 174.700 0.094 0.000 1.036 934 T CA 1.149 63.328 62.100 0.132 0.000 1.148 934 T CB -0.521 68.392 68.868 0.075 0.000 0.863 934 T HN 0.326 nan 8.240 nan 0.000 0.436 935 I N 1.408 122.013 120.570 0.059 0.000 2.264 935 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 935 I C 2.884 179.014 176.117 0.021 0.000 1.111 935 I CA 1.244 62.559 61.300 0.024 0.000 1.382 935 I CB -0.889 37.094 38.000 -0.028 0.000 1.060 935 I HN 0.315 nan 8.210 nan 0.000 0.418 936 G N 1.158 109.986 108.800 0.046 0.000 2.459 936 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 936 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 936 G C 1.713 176.644 174.900 0.052 0.000 1.183 936 G CA 0.694 45.826 45.100 0.054 0.000 0.776 936 G HN 0.284 nan 8.290 nan 0.000 0.552 937 L N 0.590 121.851 121.223 0.063 0.000 2.093 937 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 937 L C 3.230 180.129 176.870 0.049 0.000 1.085 937 L CA 1.005 55.867 54.840 0.037 0.000 0.755 937 L CB -0.189 41.890 42.059 0.034 0.000 0.904 937 L HN 0.195 nan 8.230 nan 0.000 0.435 938 S N -0.119 115.622 115.700 0.068 0.000 2.370 938 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 938 S C 2.128 176.774 174.600 0.078 0.000 1.033 938 S CA 1.297 59.546 58.200 0.082 0.000 1.011 938 S CB -0.285 62.969 63.200 0.090 0.000 0.852 938 S HN 0.533 nan 8.310 nan 0.000 0.457 939 A N 1.734 124.587 122.820 0.056 0.000 1.854 939 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 939 A C 2.003 179.615 177.584 0.046 0.000 1.192 939 A CA 1.923 53.991 52.037 0.052 0.000 0.611 939 A CB -0.604 18.408 19.000 0.020 0.000 0.832 939 A HN 0.404 nan 8.150 nan 0.000 0.442 940 K N 0.424 120.840 120.400 0.027 0.000 2.074 940 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 940 K C 1.662 178.263 176.600 0.002 0.000 1.048 940 K CA 2.079 58.372 56.287 0.010 0.000 0.926 940 K CB -0.289 32.209 32.500 -0.002 0.000 0.713 940 K HN 0.456 nan 8.250 nan 0.000 0.444 941 N N 0.207 118.912 118.700 0.007 0.000 2.142 941 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 941 N C 1.614 177.127 175.510 0.005 0.000 1.023 941 N CA 1.517 54.561 53.050 -0.009 0.000 0.852 941 N CB -0.518 37.973 38.487 0.007 0.000 0.998 941 N HN 0.359 nan 8.380 nan 0.000 0.424 942 A N 0.852 123.705 122.820 0.055 0.000 1.929 942 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 942 A C 2.330 179.977 177.584 0.104 0.000 1.176 942 A CA 0.628 52.721 52.037 0.093 0.000 0.628 942 A CB -0.559 18.530 19.000 0.148 0.000 0.816 942 A HN 0.176 nan 8.150 nan 0.000 0.444 943 I N -0.392 120.242 120.570 0.107 0.000 2.163 943 I HA -0.280 3.889 4.170 -0.000 0.000 0.243 943 I C 2.360 178.569 176.117 0.154 0.000 1.085 943 I CA 1.252 62.651 61.300 0.165 0.000 1.347 943 I CB -0.252 37.805 38.000 0.095 0.000 1.044 943 I HN 0.287 nan 8.210 nan 0.000 0.408 944 L N -0.017 121.236 121.223 0.049 0.000 2.093 944 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 944 L C 2.413 179.246 176.870 -0.061 0.000 1.085 944 L CA 1.404 56.236 54.840 -0.012 0.000 0.755 944 L CB -0.394 41.571 42.059 -0.156 0.000 0.904 944 L HN 0.197 nan 8.230 nan 0.000 0.435 945 I N -1.235 119.284 120.570 -0.086 0.000 2.163 945 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 945 I C 2.423 178.487 176.117 -0.088 0.000 1.081 945 I CA 0.989 62.224 61.300 -0.107 0.000 1.353 945 I CB -0.288 37.656 38.000 -0.093 0.000 1.054 945 I HN -0.031 nan 8.210 nan 0.000 0.407 946 V N 0.837 120.723 119.914 -0.047 0.000 2.332 946 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 946 V C 2.518 178.555 176.094 -0.095 0.000 1.055 946 V CA 2.241 64.458 62.300 -0.139 0.000 1.038 946 V CB -0.660 31.171 31.823 0.014 0.000 0.651 946 V HN 0.460 nan 8.190 nan 0.000 0.450 947 E N 0.351 120.654 120.200 0.172 0.000 2.023 947 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 947 E C 1.919 178.640 176.600 0.201 0.000 1.003 947 E CA 1.882 58.462 56.400 0.300 0.000 0.809 947 E CB -0.488 29.422 29.700 0.351 0.000 0.755 947 E HN 0.447 nan 8.360 nan 0.000 0.449 948 F N 0.694 120.608 119.950 -0.060 0.000 2.126 948 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 948 F C 2.389 178.102 175.800 -0.145 0.000 1.096 948 F CA 1.257 59.205 58.000 -0.086 0.000 1.255 948 F CB -1.187 37.764 39.000 -0.081 0.000 0.997 948 F HN 0.194 nan 8.300 nan 0.000 0.479 949 A N -0.588 122.186 122.820 -0.077 0.000 1.877 949 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 949 A C 2.206 179.645 177.584 -0.241 0.000 1.186 949 A CA 2.030 53.890 52.037 -0.294 0.000 0.620 949 A CB -0.621 17.942 19.000 -0.730 0.000 0.822 949 A HN 0.208 nan 8.150 nan 0.000 0.443 950 K N 0.245 120.529 120.400 -0.194 0.000 2.103 950 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 950 K C 1.286 177.873 176.600 -0.022 0.000 1.052 950 K CA 1.586 57.854 56.287 -0.031 0.000 0.945 950 K CB -0.407 32.118 32.500 0.041 0.000 0.722 950 K HN 0.420 nan 8.250 nan 0.000 0.443 951 D N 0.299 120.673 120.400 -0.044 0.000 2.144 951 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 951 D C 1.828 178.081 176.300 -0.078 0.000 0.984 951 D CA 1.065 55.020 54.000 -0.075 0.000 0.834 951 D CB -0.042 40.665 40.800 -0.155 0.000 0.955 951 D HN 0.210 nan 8.370 nan 0.000 0.465 952 L N -0.265 120.910 121.223 -0.080 0.000 2.156 952 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 952 L C 2.529 179.386 176.870 -0.021 0.000 1.095 952 L CA 0.621 55.426 54.840 -0.058 0.000 0.770 952 L CB -0.194 41.829 42.059 -0.060 0.000 0.914 952 L HN -0.012 nan 8.230 nan 0.000 0.439 953 M N -0.592 119.003 119.600 -0.009 0.000 2.236 953 M HA -0.156 4.324 4.480 -0.000 0.000 0.266 953 M C 1.452 177.780 176.300 0.047 0.000 1.070 953 M CA 1.638 56.960 55.300 0.037 0.000 1.137 953 M CB 0.082 32.715 32.600 0.055 0.000 1.378 953 M HN 0.131 nan 8.290 nan 0.000 0.426 954 D N -0.393 120.013 120.400 0.011 0.000 2.162 954 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 954 D C 1.781 178.082 176.300 0.001 0.000 0.964 954 D CA 1.055 55.053 54.000 -0.003 0.000 0.847 954 D CB 0.121 40.910 40.800 -0.018 0.000 0.988 954 D HN 0.180 nan 8.370 nan 0.000 0.480 955 K N -0.018 120.377 120.400 -0.009 0.000 2.242 955 K HA 0.092 4.411 4.320 -0.000 0.000 0.200 955 K C 1.022 177.620 176.600 -0.003 0.000 1.050 955 K CA 0.627 56.905 56.287 -0.015 0.000 0.981 955 K CB 0.458 32.935 32.500 -0.039 0.000 0.795 955 K HN 0.007 nan 8.250 nan 0.000 0.477 956 E N -1.435 118.766 120.200 0.002 0.000 2.539 956 E HA 0.126 4.476 4.350 -0.000 0.000 0.215 956 E C 0.465 177.083 176.600 0.031 0.000 0.965 956 E CA 0.361 56.764 56.400 0.006 0.000 1.019 956 E CB 1.262 30.953 29.700 -0.015 0.000 1.059 956 E HN 0.418 nan 8.360 nan 0.000 0.496 957 G N 2.579 111.422 108.800 0.071 0.000 2.168 957 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 957 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 957 G C 0.394 175.325 174.900 0.051 0.000 0.977 957 G CA 0.663 45.843 45.100 0.134 0.000 0.659 957 G HN 0.135 nan 8.290 nan 0.000 0.533 958 K N 1.146 121.557 120.400 0.019 0.000 2.550 958 K HA 0.408 4.728 4.320 -0.000 0.000 0.280 958 K C 1.446 178.035 176.600 -0.020 0.000 0.987 958 K CA 0.984 57.263 56.287 -0.015 0.000 1.048 958 K CB 0.091 32.578 32.500 -0.022 0.000 0.879 958 K HN 0.578 nan 8.250 nan 0.000 0.491 959 G N 3.072 111.830 108.800 -0.070 0.000 2.491 959 G HA2 0.016 3.976 3.960 -0.000 0.000 0.238 959 G HA3 0.016 3.976 3.960 -0.000 0.000 0.238 959 G C 0.808 175.682 174.900 -0.042 0.000 1.277 959 G CA -0.398 44.641 45.100 -0.100 0.000 0.851 959 G HN 0.698 nan 8.290 nan 0.000 0.573 960 L N 2.860 124.081 121.223 -0.003 0.000 1.971 960 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 960 L C 2.628 179.517 176.870 0.031 0.000 1.072 960 L CA 2.628 57.503 54.840 0.059 0.000 0.758 960 L CB -0.633 41.476 42.059 0.083 0.000 0.889 960 L HN 0.702 nan 8.230 nan 0.000 0.433 961 I N -1.946 118.620 120.570 -0.007 0.000 2.567 961 I HA -0.157 4.013 4.170 -0.000 0.000 0.257 961 I C 2.293 178.384 176.117 -0.044 0.000 1.184 961 I CA 1.782 63.069 61.300 -0.021 0.000 1.451 961 I CB -1.061 36.919 38.000 -0.034 0.000 1.089 961 I HN 0.513 nan 8.210 nan 0.000 0.441 962 E N 1.518 121.684 120.200 -0.057 0.000 2.042 962 E HA -0.032 4.318 4.350 -0.000 0.000 0.189 962 E C 2.374 178.939 176.600 -0.058 0.000 0.974 962 E CA 0.873 57.236 56.400 -0.061 0.000 0.806 962 E CB -0.154 29.502 29.700 -0.072 0.000 0.769 962 E HN 0.492 nan 8.360 nan 0.000 0.451 963 A N 0.802 123.588 122.820 -0.056 0.000 1.908 963 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 963 A C 2.455 179.976 177.584 -0.105 0.000 1.181 963 A CA 2.596 54.591 52.037 -0.070 0.000 0.627 963 A CB -1.435 17.525 19.000 -0.068 0.000 0.818 963 A HN 0.542 nan 8.150 nan 0.000 0.445 964 T N -1.465 113.012 114.554 -0.127 0.000 2.759 964 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 964 T C 1.805 176.439 174.700 -0.110 0.000 1.042 964 T CA 1.518 63.520 62.100 -0.164 0.000 1.140 964 T CB -0.537 68.264 68.868 -0.112 0.000 0.864 964 T HN 0.297 nan 8.240 nan 0.000 0.455 965 L N 0.788 121.962 121.223 -0.082 0.000 2.109 965 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 965 L C 2.726 179.557 176.870 -0.065 0.000 1.086 965 L CA 1.398 56.193 54.840 -0.075 0.000 0.760 965 L CB -0.482 41.535 42.059 -0.069 0.000 0.910 965 L HN 0.219 nan 8.230 nan 0.000 0.437 966 D N 0.213 120.582 120.400 -0.052 0.000 2.097 966 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 966 D C 2.206 178.508 176.300 0.003 0.000 0.989 966 D CA 1.521 55.508 54.000 -0.023 0.000 0.827 966 D CB -0.075 40.718 40.800 -0.012 0.000 0.966 966 D HN 0.302 nan 8.370 nan 0.000 0.456 967 A N 0.950 123.766 122.820 -0.006 0.000 1.851 967 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 967 A C 2.471 180.020 177.584 -0.059 0.000 1.195 967 A CA 1.738 53.784 52.037 0.015 0.000 0.622 967 A CB -1.075 17.901 19.000 -0.041 0.000 0.831 967 A HN 0.184 nan 8.150 nan 0.000 0.444 968 V N 0.148 120.011 119.914 -0.085 0.000 2.594 968 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 968 V C 2.597 178.649 176.094 -0.071 0.000 1.069 968 V CA 2.404 64.645 62.300 -0.098 0.000 1.082 968 V CB -0.716 31.037 31.823 -0.117 0.000 0.680 968 V HN 0.627 nan 8.190 nan 0.000 0.469 969 R N 0.459 120.930 120.500 -0.048 0.000 2.062 969 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 969 R C 2.228 178.529 176.300 0.003 0.000 1.125 969 R CA 2.063 58.149 56.100 -0.023 0.000 0.966 969 R CB -0.436 29.840 30.300 -0.040 0.000 0.861 969 R HN 0.711 nan 8.270 nan 0.000 0.433 970 M N -0.836 118.769 119.600 0.009 0.000 2.619 970 M HA 0.071 4.551 4.480 -0.000 0.000 0.251 970 M C 0.851 177.121 176.300 -0.051 0.000 1.106 970 M CA 1.233 56.550 55.300 0.029 0.000 1.086 970 M CB 0.113 32.778 32.600 0.108 0.000 1.465 970 M HN -0.073 nan 8.290 nan 0.000 0.506 971 R N 0.262 120.694 120.500 -0.114 0.000 2.404 971 R HA 0.266 4.605 4.340 -0.000 0.000 0.237 971 R C 2.079 178.314 176.300 -0.108 0.000 0.907 971 R CA -0.132 55.855 56.100 -0.188 0.000 1.063 971 R CB 0.204 30.311 30.300 -0.323 0.000 1.134 971 R HN 0.343 nan 8.270 nan 0.000 0.529 972 L N 1.827 123.020 121.223 -0.051 0.000 2.079 972 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 972 L C 2.308 179.195 176.870 0.029 0.000 1.081 972 L CA 1.817 56.654 54.840 -0.005 0.000 0.752 972 L CB -0.506 41.570 42.059 0.029 0.000 0.896 972 L HN 0.189 nan 8.230 nan 0.000 0.433 973 R N 0.310 120.835 120.500 0.042 0.000 2.088 973 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 973 R C -0.372 175.857 176.300 -0.118 0.000 1.136 973 R CA 2.205 58.342 56.100 0.061 0.000 0.926 973 R CB -1.309 29.044 30.300 0.089 0.000 0.837 973 R HN 0.327 nan 8.270 nan 0.000 0.429 974 P HA -0.126 nan 4.420 nan 0.000 0.221 974 P C 1.401 178.611 177.300 -0.150 0.000 1.150 974 P CA 1.067 64.054 63.100 -0.188 0.000 0.800 974 P CB -0.164 31.440 31.700 -0.161 0.000 0.787 975 I N -0.581 119.929 120.570 -0.101 0.000 2.142 975 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 975 I C 2.465 178.565 176.117 -0.028 0.000 1.078 975 I CA 1.144 62.410 61.300 -0.056 0.000 1.343 975 I CB -1.942 36.038 38.000 -0.033 0.000 1.046 975 I HN -0.069 nan 8.210 nan 0.000 0.405 976 L N -0.222 120.996 121.223 -0.008 0.000 2.083 976 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 976 L C 2.667 179.520 176.870 -0.029 0.000 1.083 976 L CA 1.664 56.531 54.840 0.045 0.000 0.752 976 L CB -0.640 41.513 42.059 0.157 0.000 0.899 976 L HN 0.173 nan 8.230 nan 0.000 0.433 977 M N -1.538 117.928 119.600 -0.223 0.000 2.059 977 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 977 M C 2.236 178.452 176.300 -0.140 0.000 1.072 977 M CA 2.331 57.418 55.300 -0.354 0.000 1.117 977 M CB -0.816 31.443 32.600 -0.568 0.000 1.320 977 M HN 0.244 nan 8.290 nan 0.000 0.408 978 T N 0.443 114.933 114.554 -0.107 0.000 2.665 978 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 978 T C 1.931 176.667 174.700 0.060 0.000 1.035 978 T CA 1.924 63.998 62.100 -0.043 0.000 1.151 978 T CB -0.409 68.417 68.868 -0.070 0.000 0.862 978 T HN 0.357 nan 8.240 nan 0.000 0.438 979 S N 1.336 117.082 115.700 0.076 0.000 2.370 979 S HA -0.049 4.421 4.470 -0.000 0.000 0.226 979 S C 1.953 176.643 174.600 0.150 0.000 1.033 979 S CA 0.798 59.088 58.200 0.150 0.000 1.011 979 S CB -0.528 62.742 63.200 0.117 0.000 0.852 979 S HN 0.215 nan 8.310 nan 0.000 0.457 980 L N 1.574 122.863 121.223 0.110 0.000 2.056 980 L HA 0.055 4.395 4.340 -0.000 0.000 0.207 980 L C 2.403 179.341 176.870 0.113 0.000 1.078 980 L CA 1.661 56.567 54.840 0.110 0.000 0.749 980 L CB -0.905 41.228 42.059 0.123 0.000 0.901 980 L HN 0.269 nan 8.230 nan 0.000 0.433 981 A N -1.409 121.480 122.820 0.115 0.000 1.930 981 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 981 A C 2.199 179.901 177.584 0.197 0.000 1.175 981 A CA 1.533 53.647 52.037 0.127 0.000 0.627 981 A CB -0.942 18.113 19.000 0.093 0.000 0.815 981 A HN 0.463 nan 8.150 nan 0.000 0.443 982 F N 0.544 120.508 119.950 0.023 0.000 2.163 982 F HA -0.034 4.492 4.527 -0.000 0.000 0.297 982 F C 1.925 177.746 175.800 0.035 0.000 1.094 982 F CA 0.878 58.894 58.000 0.026 0.000 1.290 982 F CB -0.414 38.599 39.000 0.023 0.000 1.017 982 F HN 0.162 nan 8.300 nan 0.000 0.483 983 I N -0.324 120.255 120.570 0.014 0.000 2.252 983 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 983 I C 2.214 178.304 176.117 -0.045 0.000 1.102 983 I CA 1.164 62.413 61.300 -0.086 0.000 1.385 983 I CB -0.456 37.538 38.000 -0.011 0.000 1.064 983 I HN 0.069 nan 8.210 nan 0.000 0.414 984 L N 0.142 121.377 121.223 0.021 0.000 2.376 984 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 984 L C 2.418 179.305 176.870 0.028 0.000 1.133 984 L CA 0.910 55.768 54.840 0.031 0.000 0.816 984 L CB -0.694 41.400 42.059 0.057 0.000 0.933 984 L HN 0.288 nan 8.230 nan 0.000 0.449 985 G N -1.064 107.759 108.800 0.038 0.000 2.551 985 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 985 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 985 G C 1.420 176.319 174.900 -0.002 0.000 1.137 985 G CA 0.262 45.391 45.100 0.048 0.000 0.798 985 G HN 0.186 nan 8.290 nan 0.000 0.536 986 V N 0.967 120.834 119.914 -0.080 0.000 3.354 986 V HA 0.052 4.172 4.120 -0.000 0.000 0.258 986 V C 2.446 178.506 176.094 -0.056 0.000 1.159 986 V CA 1.045 63.277 62.300 -0.113 0.000 1.125 986 V CB 0.111 31.768 31.823 -0.276 0.000 0.774 986 V HN 0.478 nan 8.190 nan 0.000 0.464 987 M N 1.485 121.063 119.600 -0.035 0.000 2.113 987 M HA -0.210 4.270 4.480 -0.000 0.000 0.255 987 M C -0.472 175.826 176.300 -0.002 0.000 1.073 987 M CA 2.654 57.947 55.300 -0.012 0.000 1.091 987 M CB -1.056 31.546 32.600 0.003 0.000 1.309 987 M HN 0.255 nan 8.290 nan 0.000 0.407 988 P HA -0.039 nan 4.420 nan 0.000 0.223 988 P C 1.471 178.775 177.300 0.006 0.000 1.151 988 P CA 1.050 64.153 63.100 0.005 0.000 0.787 988 P CB -0.173 31.528 31.700 0.002 0.000 0.788 989 L N -1.411 119.816 121.223 0.007 0.000 2.141 989 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 989 L C 2.245 179.120 176.870 0.008 0.000 1.094 989 L CA 1.028 55.878 54.840 0.018 0.000 0.763 989 L CB -0.750 41.327 42.059 0.030 0.000 0.908 989 L HN -0.116 nan 8.230 nan 0.000 0.437 990 V N -0.210 119.705 119.914 0.003 0.000 2.283 990 V HA -0.124 3.996 4.120 -0.000 0.000 0.243 990 V C 1.234 177.335 176.094 0.012 0.000 1.039 990 V CA 0.959 63.263 62.300 0.007 0.000 1.016 990 V CB -0.029 31.797 31.823 0.005 0.000 0.650 990 V HN 0.192 nan 8.190 nan 0.000 0.449 991 I N 1.289 121.866 120.570 0.013 0.000 2.317 991 I HA 0.330 4.500 4.170 -0.000 0.000 0.286 991 I C 0.037 176.162 176.117 0.013 0.000 1.119 991 I CA 0.751 62.060 61.300 0.015 0.000 1.228 991 I CB 0.108 38.119 38.000 0.018 0.000 1.476 991 I HN 0.132 nan 8.210 nan 0.000 0.514 992 S N 3.964 119.670 115.700 0.011 0.000 2.513 992 S HA 0.772 5.242 4.470 -0.000 0.000 0.299 992 S C -0.032 174.574 174.600 0.010 0.000 1.087 992 S CA -0.150 58.055 58.200 0.008 0.000 1.012 992 S CB 1.642 64.844 63.200 0.003 0.000 1.044 992 S HN 0.565 nan 8.310 nan 0.000 0.485 993 T N 2.082 116.643 114.554 0.011 0.000 2.807 993 T HA 0.881 5.230 4.350 -0.000 0.000 0.277 993 T C 0.545 175.247 174.700 0.004 0.000 1.006 993 T CA 0.134 62.246 62.100 0.020 0.000 1.006 993 T CB 0.776 69.665 68.868 0.034 0.000 1.274 993 T HN 1.439 nan 8.240 nan 0.000 0.569 994 G N 0.609 109.423 108.800 0.024 0.000 2.697 994 G HA2 0.201 4.161 3.960 -0.000 0.000 0.240 994 G HA3 0.201 4.161 3.960 -0.000 0.000 0.240 994 G C 0.057 174.880 174.900 -0.128 0.000 1.346 994 G CA -0.384 44.707 45.100 -0.014 0.000 0.887 994 G HN 1.349 nan 8.290 nan 0.000 0.569 995 A N -0.413 122.141 122.820 -0.443 0.000 2.511 995 A HA 0.638 4.958 4.320 -0.000 0.000 0.242 995 A C 2.072 179.487 177.584 -0.282 0.000 1.069 995 A CA 2.163 53.884 52.037 -0.528 0.000 0.763 995 A CB -0.187 17.952 19.000 -1.434 0.000 1.001 995 A HN 2.954 nan 8.150 nan 0.000 0.498 996 G N 1.121 109.918 108.800 -0.006 0.000 2.199 996 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.254 996 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.254 996 G C 1.374 176.281 174.900 0.012 0.000 0.982 996 G CA 1.234 46.320 45.100 -0.022 0.000 0.632 996 G HN 2.043 nan 8.290 nan 0.000 0.529 997 S N 0.247 115.950 115.700 0.004 0.000 2.399 997 S HA 0.145 4.615 4.470 -0.000 0.000 0.231 997 S C 2.516 177.103 174.600 -0.021 0.000 1.022 997 S CA 1.602 59.797 58.200 -0.009 0.000 0.983 997 S CB -0.774 62.426 63.200 0.000 0.000 0.803 997 S HN 1.617 nan 8.310 nan 0.000 0.480 998 G N 1.824 110.630 108.800 0.009 0.000 2.491 998 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.218 998 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.218 998 G C 1.689 176.531 174.900 -0.097 0.000 1.180 998 G CA 1.109 46.209 45.100 -0.000 0.000 0.774 998 G HN 0.811 nan 8.290 nan 0.000 0.562 999 A N 0.054 122.739 122.820 -0.226 0.000 1.872 999 A HA 0.006 4.325 4.320 -0.000 0.000 0.214 999 A C 2.333 179.484 177.584 -0.722 0.000 1.187 999 A CA 1.826 53.437 52.037 -0.710 0.000 0.614 999 A CB -0.462 17.883 19.000 -1.092 0.000 0.826 999 A HN 0.437 nan 8.150 nan 0.000 0.442 1000 Q N -0.045 119.517 119.800 -0.397 0.000 2.112 1000 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 1000 Q C 1.911 177.860 176.000 -0.085 0.000 0.987 1000 Q CA 2.056 57.791 55.803 -0.113 0.000 0.858 1000 Q CB -0.345 28.412 28.738 0.032 0.000 0.905 1000 Q HN 0.826 nan 8.270 nan 0.000 0.420 1001 N N 0.038 118.690 118.700 -0.081 0.000 2.142 1001 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 1001 N C 1.756 177.253 175.510 -0.022 0.000 1.023 1001 N CA 0.840 53.870 53.050 -0.033 0.000 0.852 1001 N CB -0.147 38.330 38.487 -0.016 0.000 0.998 1001 N HN 0.202 nan 8.380 nan 0.000 0.424 1002 A N 0.824 123.611 122.820 -0.056 0.000 1.933 1002 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 1002 A C 2.383 180.010 177.584 0.071 0.000 1.175 1002 A CA 1.139 53.194 52.037 0.030 0.000 0.628 1002 A CB -0.749 18.286 19.000 0.059 0.000 0.814 1002 A HN 0.094 nan 8.150 nan 0.000 0.444 1003 V N -0.179 119.703 119.914 -0.052 0.000 2.244 1003 V HA -0.157 3.963 4.120 -0.000 0.000 0.244 1003 V C 2.839 178.963 176.094 0.050 0.000 1.042 1003 V CA 2.037 64.357 62.300 0.032 0.000 1.006 1003 V CB -1.555 30.291 31.823 0.038 0.000 0.641 1003 V HN 0.590 nan 8.190 nan 0.000 0.446 1004 G N -0.239 108.574 108.800 0.022 0.000 2.552 1004 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 1004 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 1004 G C 1.675 176.579 174.900 0.007 0.000 1.240 1004 G CA 1.748 46.847 45.100 -0.002 0.000 0.796 1004 G HN 0.449 nan 8.290 nan 0.000 0.568 1005 T N 1.117 115.694 114.554 0.040 0.000 2.592 1005 T HA -0.195 4.154 4.350 -0.000 0.000 0.267 1005 T C 2.429 177.188 174.700 0.099 0.000 1.060 1005 T CA 2.051 64.191 62.100 0.065 0.000 1.167 1005 T CB -0.993 67.923 68.868 0.080 0.000 0.863 1005 T HN 0.417 nan 8.240 nan 0.000 0.431 1006 G N 0.394 109.303 108.800 0.181 0.000 2.422 1006 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.218 1006 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.218 1006 G C 1.717 176.629 174.900 0.020 0.000 1.146 1006 G CA 0.829 46.051 45.100 0.204 0.000 0.769 1006 G HN 0.463 nan 8.290 nan 0.000 0.547 1007 V N 0.789 120.696 119.914 -0.011 0.000 2.453 1007 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 1007 V C 2.626 178.658 176.094 -0.103 0.000 1.048 1007 V CA 2.007 64.274 62.300 -0.055 0.000 1.049 1007 V CB -0.263 31.517 31.823 -0.071 0.000 0.672 1007 V HN 0.497 nan 8.190 nan 0.000 0.457 1008 M N 0.517 120.056 119.600 -0.102 0.000 2.077 1008 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 1008 M C 2.090 178.372 176.300 -0.030 0.000 1.070 1008 M CA 2.440 57.681 55.300 -0.098 0.000 1.125 1008 M CB -0.644 31.914 32.600 -0.070 0.000 1.339 1008 M HN 0.349 nan 8.290 nan 0.000 0.409 1009 G N -0.869 107.933 108.800 0.002 0.000 2.422 1009 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 1009 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 1009 G C 1.413 176.328 174.900 0.024 0.000 1.146 1009 G CA 0.824 45.934 45.100 0.017 0.000 0.769 1009 G HN 0.634 nan 8.290 nan 0.000 0.547 1010 G N 0.456 109.271 108.800 0.025 0.000 2.418 1010 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 1010 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 1010 G C 1.814 176.749 174.900 0.059 0.000 1.158 1010 G CA 1.070 46.190 45.100 0.033 0.000 0.771 1010 G HN 0.285 nan 8.290 nan 0.000 0.545 1011 M N 0.173 119.809 119.600 0.059 0.000 2.193 1011 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 1011 M C 2.799 179.153 176.300 0.090 0.000 1.071 1011 M CA 0.555 55.914 55.300 0.099 0.000 1.140 1011 M CB -0.893 31.773 32.600 0.109 0.000 1.369 1011 M HN 0.107 nan 8.290 nan 0.000 0.423 1012 V N 0.998 120.949 119.914 0.062 0.000 2.252 1012 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 1012 V C 2.669 178.815 176.094 0.086 0.000 1.056 1012 V CA 2.568 64.909 62.300 0.068 0.000 1.022 1012 V CB -1.289 30.561 31.823 0.046 0.000 0.641 1012 V HN 0.614 nan 8.190 nan 0.000 0.445 1013 T N -1.109 113.490 114.554 0.075 0.000 2.668 1013 T HA -0.121 4.229 4.350 -0.000 0.000 0.262 1013 T C 2.014 176.786 174.700 0.119 0.000 1.045 1013 T CA 1.478 63.632 62.100 0.090 0.000 1.152 1013 T CB -0.799 68.106 68.868 0.061 0.000 0.864 1013 T HN 0.483 nan 8.240 nan 0.000 0.419 1014 A N 2.326 125.211 122.820 0.107 0.000 1.915 1014 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 1014 A C 2.771 180.439 177.584 0.139 0.000 1.198 1014 A CA 3.395 55.505 52.037 0.121 0.000 0.647 1014 A CB -1.736 17.330 19.000 0.109 0.000 0.825 1014 A HN 0.834 nan 8.150 nan 0.000 0.456 1015 T N -3.121 111.512 114.554 0.131 0.000 2.809 1015 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 1015 T C 1.218 176.004 174.700 0.144 0.000 1.039 1015 T CA 1.184 63.358 62.100 0.123 0.000 1.141 1015 T CB -0.769 68.166 68.868 0.112 0.000 0.869 1015 T HN 0.196 nan 8.240 nan 0.000 0.437 1016 V N 1.451 121.466 119.914 0.169 0.000 3.513 1016 V HA 0.314 4.433 4.120 -0.000 0.000 0.311 1016 V C 1.297 177.575 176.094 0.307 0.000 1.218 1016 V CA 0.529 62.964 62.300 0.225 0.000 1.266 1016 V CB -0.887 31.057 31.823 0.202 0.000 1.074 1016 V HN 0.357 nan 8.190 nan 0.000 0.421 1017 L N -0.503 120.905 121.223 0.307 0.000 2.627 1017 L HA 0.471 4.811 4.340 -0.000 0.000 0.253 1017 L C 2.165 179.315 176.870 0.466 0.000 1.042 1017 L CA 1.523 56.625 54.840 0.436 0.000 1.110 1017 L CB -0.290 41.962 42.059 0.321 0.000 2.151 1017 L HN 0.097 nan 8.230 nan 0.000 0.539 1018 A N 0.621 123.608 122.820 0.279 0.000 2.015 1018 A HA -0.101 4.218 4.320 -0.000 0.000 0.219 1018 A C 2.010 179.647 177.584 0.088 0.000 1.163 1018 A CA 1.688 53.855 52.037 0.216 0.000 0.646 1018 A CB -0.958 18.141 19.000 0.166 0.000 0.806 1018 A HN 0.583 nan 8.150 nan 0.000 0.448 1019 I N -4.968 115.593 120.570 -0.016 0.000 2.700 1019 I HA -0.123 4.047 4.170 -0.000 0.000 0.261 1019 I C 1.849 177.687 176.117 -0.464 0.000 1.219 1019 I CA 1.511 62.663 61.300 -0.247 0.000 1.463 1019 I CB -0.361 37.440 38.000 -0.333 0.000 1.092 1019 I HN 0.182 nan 8.210 nan 0.000 0.452 1020 F N -0.486 119.410 119.950 -0.091 0.000 2.559 1020 F HA 0.270 4.797 4.527 -0.000 0.000 0.286 1020 F C 1.831 177.371 175.800 -0.434 0.000 1.108 1020 F CA 0.358 58.184 58.000 -0.289 0.000 1.436 1020 F CB -0.234 38.545 39.000 -0.368 0.000 1.130 1020 F HN -0.125 nan 8.300 nan 0.000 0.584 1021 F N -0.356 119.518 119.950 -0.126 0.000 2.219 1021 F HA -0.068 4.459 4.527 -0.000 0.000 0.294 1021 F C 2.207 177.521 175.800 -0.809 0.000 1.086 1021 F CA 0.714 58.398 58.000 -0.527 0.000 1.330 1021 F CB -0.536 38.171 39.000 -0.488 0.000 1.047 1021 F HN -0.327 nan 8.300 nan 0.000 0.495 1022 V N 1.530 121.357 119.914 -0.146 0.000 2.295 1022 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 1022 V C -0.445 175.671 176.094 0.036 0.000 1.049 1022 V CA 1.901 64.242 62.300 0.067 0.000 1.024 1022 V CB -2.002 29.912 31.823 0.151 0.000 0.648 1022 V HN 0.173 nan 8.190 nan 0.000 0.447 1023 P HA -0.097 nan 4.420 nan 0.000 0.217 1023 P C 1.937 179.224 177.300 -0.022 0.000 1.150 1023 P CA 1.290 64.364 63.100 -0.043 0.000 0.832 1023 P CB -0.044 31.591 31.700 -0.108 0.000 0.787 1024 V N -0.454 119.367 119.914 -0.156 0.000 2.295 1024 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 1024 V C 2.530 178.632 176.094 0.013 0.000 1.049 1024 V CA 1.756 63.960 62.300 -0.161 0.000 1.024 1024 V CB -1.405 30.207 31.823 -0.351 0.000 0.648 1024 V HN -0.025 nan 8.190 nan 0.000 0.447 1025 F N -1.024 118.970 119.950 0.072 0.000 2.091 1025 F HA -0.281 4.246 4.527 -0.000 0.000 0.299 1025 F C 2.284 178.128 175.800 0.074 0.000 1.103 1025 F CA 2.060 60.093 58.000 0.054 0.000 1.228 1025 F CB -0.497 38.539 39.000 0.060 0.000 0.984 1025 F HN 0.161 nan 8.300 nan 0.000 0.477 1026 F N 0.668 120.717 119.950 0.166 0.000 2.102 1026 F HA -0.209 4.317 4.527 -0.000 0.000 0.298 1026 F C 2.196 178.019 175.800 0.038 0.000 1.105 1026 F CA 1.390 59.428 58.000 0.064 0.000 1.239 1026 F CB -0.527 38.477 39.000 0.007 0.000 0.991 1026 F HN -0.306 nan 8.300 nan 0.000 0.474 1027 V N -0.641 119.405 119.914 0.219 0.000 2.358 1027 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 1027 V C 2.320 178.435 176.094 0.034 0.000 1.047 1027 V CA 1.536 63.902 62.300 0.110 0.000 1.035 1027 V CB -0.738 31.141 31.823 0.093 0.000 0.658 1027 V HN 0.253 nan 8.190 nan 0.000 0.452 1028 V N -0.341 119.609 119.914 0.059 0.000 2.261 1028 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 1028 V C 2.415 178.521 176.094 0.019 0.000 1.047 1028 V CA 2.034 64.366 62.300 0.054 0.000 1.015 1028 V CB -0.426 31.458 31.823 0.103 0.000 0.642 1028 V HN 0.392 nan 8.190 nan 0.000 0.446 1029 V N -0.102 119.809 119.914 -0.006 0.000 2.307 1029 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 1029 V C 2.525 178.561 176.094 -0.095 0.000 1.045 1029 V CA 2.102 64.380 62.300 -0.036 0.000 1.024 1029 V CB -0.706 31.097 31.823 -0.032 0.000 0.651 1029 V HN 0.435 nan 8.190 nan 0.000 0.449 1030 R N 0.240 120.573 120.500 -0.280 0.000 2.328 1030 R HA -0.001 4.339 4.340 -0.000 0.000 0.207 1030 R C 1.981 178.236 176.300 -0.074 0.000 1.056 1030 R CA 1.019 56.927 56.100 -0.319 0.000 1.016 1030 R CB -0.440 29.449 30.300 -0.685 0.000 0.872 1030 R HN 0.416 nan 8.270 nan 0.000 0.471 1031 R N -0.767 119.722 120.500 -0.018 0.000 2.317 1031 R HA 0.197 4.536 4.340 -0.000 0.000 0.208 1031 R C 0.170 176.509 176.300 0.066 0.000 0.914 1031 R CA 0.127 56.250 56.100 0.038 0.000 1.060 1031 R CB 0.370 30.688 30.300 0.030 0.000 1.015 1031 R HN -0.041 nan 8.270 nan 0.000 0.498 1032 R N 0.457 121.006 120.500 0.082 0.000 4.048 1032 R HA 0.211 4.551 4.340 -0.000 0.000 0.290 1032 R C -1.350 175.057 176.300 0.178 0.000 1.519 1032 R CA -0.088 56.068 56.100 0.093 0.000 1.446 1032 R CB 0.180 30.519 30.300 0.064 0.000 1.455 1032 R HN -0.068 nan 8.270 nan 0.000 0.706 1033 F N 0.172 120.122 119.950 0.000 0.000 2.588 1033 F HA 0.205 4.732 4.527 -0.000 0.000 0.314 1033 F C 0.026 175.833 175.800 0.012 0.000 1.134 1033 F CA -0.777 57.227 58.000 0.008 0.000 0.961 1033 F CB 1.589 40.582 39.000 -0.012 0.000 1.239 1033 F HN 0.128 nan 8.300 nan 0.000 0.448 1034 S N 4.623 120.267 115.700 -0.095 0.000 2.573 1034 S HA 0.234 4.703 4.470 -0.000 0.000 0.277 1034 S C 0.853 175.523 174.600 0.117 0.000 1.346 1034 S CA -0.548 57.646 58.200 -0.011 0.000 1.034 1034 S CB 1.050 64.189 63.200 -0.102 0.000 0.879 1034 S HN 0.847 nan 8.310 nan 0.000 0.528 1035 R N 0.647 121.200 120.500 0.087 0.000 2.397 1035 R HA 0.218 4.558 4.340 -0.000 0.000 0.241 1035 R C 0.724 177.074 176.300 0.082 0.000 0.914 1035 R CA -0.523 55.641 56.100 0.106 0.000 1.071 1035 R CB -0.154 30.202 30.300 0.095 0.000 1.116 1035 R HN 0.457 nan 8.270 nan 0.000 0.524 1036 K N 1.961 122.394 120.400 0.056 0.000 1.991 1036 K HA -0.109 4.210 4.320 -0.000 0.000 0.212 1036 K C 1.255 177.882 176.600 0.046 0.000 1.049 1036 K CA 1.873 58.184 56.287 0.040 0.000 0.932 1036 K CB -0.293 32.218 32.500 0.018 0.000 0.717 1036 K HN 0.300 nan 8.250 nan 0.000 0.441 1037 N N 0.566 119.295 118.700 0.049 0.000 2.109 1037 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 1037 N C 0.358 175.888 175.510 0.033 0.000 1.034 1037 N CA 1.016 54.090 53.050 0.041 0.000 0.846 1037 N CB 0.212 38.726 38.487 0.045 0.000 1.010 1037 N HN 0.273 nan 8.380 nan 0.000 0.425 1038 E N 0.642 120.864 120.200 0.037 0.000 2.314 1038 E HA 0.190 4.540 4.350 -0.000 0.000 0.272 1038 E C -1.744 174.938 176.600 0.136 0.000 0.884 1038 E CA -0.617 55.789 56.400 0.011 0.000 0.753 1038 E CB 1.532 31.053 29.700 -0.299 0.000 1.213 1038 E HN -0.076 nan 8.360 nan 0.000 0.432 1039 D N 2.736 123.304 120.400 0.280 0.000 2.365 1039 D HA 0.236 4.876 4.640 -0.000 0.000 0.237 1039 D C -0.409 176.064 176.300 0.289 0.000 1.190 1039 D CA -0.505 53.641 54.000 0.242 0.000 0.867 1039 D CB 0.157 41.073 40.800 0.193 0.000 1.050 1039 D HN 0.358 nan 8.370 nan 0.000 0.491 1040 I N 4.447 125.137 120.570 0.200 0.000 2.352 1040 I HA 0.146 4.316 4.170 -0.000 0.000 0.303 1040 I C 1.300 177.484 176.117 0.112 0.000 1.194 1040 I CA 0.611 62.012 61.300 0.169 0.000 1.518 1040 I CB -0.111 37.952 38.000 0.104 0.000 1.489 1040 I HN 0.581 nan 8.210 nan 0.000 0.702 1041 E N 1.606 121.860 120.200 0.089 0.000 2.067 1041 E HA 0.071 4.421 4.350 -0.000 0.000 0.219 1041 E C 0.038 176.511 176.600 -0.211 0.000 1.054 1041 E CA -0.056 56.329 56.400 -0.025 0.000 1.472 1041 E CB 0.549 30.278 29.700 0.048 0.000 3.768 1041 E HN 0.498 nan 8.360 nan 0.000 1.006 1042 H N -0.097 118.924 119.070 -0.082 0.000 2.869 1042 H HA 0.438 4.994 4.556 -0.000 0.000 0.342 1042 H C -0.417 174.672 175.328 -0.398 0.000 1.250 1042 H CA -0.520 55.427 56.048 -0.169 0.000 1.217 1042 H CB 1.866 31.548 29.762 -0.133 0.000 1.917 1042 H HN -0.071 nan 8.280 nan 0.000 0.586 1043 S N 0.140 115.751 115.700 -0.149 0.000 2.580 1043 S HA 0.054 4.524 4.470 -0.000 0.000 0.266 1043 S C 0.641 174.958 174.600 -0.471 0.000 1.354 1043 S CA -0.126 57.933 58.200 -0.236 0.000 1.008 1043 S CB 0.423 63.586 63.200 -0.062 0.000 0.898 1043 S HN 0.583 nan 8.310 nan 0.000 0.555 1044 H N -0.442 118.652 119.070 0.040 0.000 1.920 1044 H HA 0.191 4.747 4.556 -0.000 0.000 0.186 1044 H C 1.057 176.397 175.328 0.020 0.000 0.924 1044 H CA 0.303 56.369 56.048 0.031 0.000 1.039 1044 H CB -0.532 29.247 29.762 0.029 0.000 1.126 1044 H HN 0.588 nan 8.280 nan 0.000 0.379 1045 T N 0.000 114.645 114.554 0.152 0.000 3.816 1045 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1045 T CA 0.000 62.147 62.100 0.079 0.000 1.349 1045 T CB 0.000 68.903 68.868 0.059 0.000 0.612 1045 T HN 0.000 nan 8.240 nan 0.000 0.658